N-[(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide;cis-(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexan-1-amine;6-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride

C46H71ClF6N6O3 — CID 158867208

IUPACN-[(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide;cis-(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexan-1-amine;6-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride
SMILESCCCCC1CCCN(C[C@@H]2CCCC[C@H]2N)C1.CCCCC1CCCN(C[C@@H]2CCCC[C@H]2NC(=O)c2ccc(C(F)(F)F)nc2)C1.Cl.O=C(O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C23H34F3N3O.C16H32N2.C7H4F3NO2.ClH/c1-2-3-7-17-8-6-13-29(15-17)16-19-9-4-5-10-20(19)28-22(30)18-11-12-21(27-14-18)23(24,25)26;1-2-3-7-14-8-6-11-18(12-14)13-15-9-4-5-10-16(15)17;8-7(9,10)5-2-1-4(3-11-5)6(12)13;/h11-12,14,17,19-20H,2-10,13,15-16H2,1H3,(H,28,30);14-16H,2-13,17H2,1H3;1-3H,(H,12,13);1H/t17?,19-,20+;14?,15-,16+;;/m00../s1
InChIKeyTXKOJUAUNORBDI-KRDHXTNSSA-N
MW905.55 g/mol
LogP10.92
Rot. Bonds13

About N-[(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide;cis-(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexan-1-amine;6-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride

N-[(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide;cis-(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexan-1-amine;6-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride (PubChem CID 158867208) has the molecular formula C46H71ClF6N6O3 and a molecular weight of 905.55 g/mol. Its IUPAC name is N-[(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide;cis-(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexan-1-amine;6-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound NameN-[(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide;cis-(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexan-1-amine;6-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride
PubChem CID158867208
Molecular FormulaC46H71ClF6N6O3
Molecular Weight905.55 g/mol
Exact Mass904.52
IUPAC NameN-[(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide;cis-(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexan-1-amine;6-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride
SMILESCCCCC1CCCN(C[C@@H]2CCCC[C@H]2N)C1.CCCCC1CCCN(C[C@@H]2CCCC[C@H]2NC(=O)c2ccc(C(F)(F)F)nc2)C1.Cl.O=C(O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C23H34F3N3O.C16H32N2.C7H4F3NO2.ClH/c1-2-3-7-17-8-6-13-29(15-17)16-19-9-4-5-10-20(19)28-22(30)18-11-12-21(27-14-18)23(24,25)26;1-2-3-7-14-8-6-11-18(12-14)13-15-9-4-5-10-16(15)17;8-7(9,10)5-2-1-4(3-11-5)6(12)13;/h11-12,14,17,19-20H,2-10,13,15-16H2,1H3,(H,28,30);14-16H,2-13,17H2,1H3;1-3H,(H,12,13);1H/t17?,19-,20+;14?,15-,16+;;/m00../s1
InChIKeyTXKOJUAUNORBDI-KRDHXTNSSA-N
XLogP10.92
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.55
LogP ≤ 510.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide;cis-(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexan-1-amine;6-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride with MolForge

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Related Compounds

(S)-6-(((4-(Trifluoromethyl)phenyl)(3-(trifluoromethyl)-pyridin-2-yl)methyl)carbamoyl)nicotinic Acid
CID 86687975
2-[2-[(1S,2S)-2-[[1-[4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]amino]cyclopentyl]ethyl]pyridine-3-carboxylic acid
CID 132055344
6-[[[(7S)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]pyridine-3-carboxylic acid
CID 118282432
6-[[5-Carbamoyl-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid
CID 58439743
6-[[5-Carbamoyl-4-[(2,6-difluorophenyl)methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid
CID 58439861
6-[[5-Carbamoyl-4-[(3,5-difluorophenyl)methylamino]-2-pyridinyl]methyl]pyridine-3-carboxylic acid
CID 58440132
6-(3-fluorophenyl)-N-[1-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67267219
6-(3-fluorophenyl)-N-[1-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268525
6-[1-[2-(Trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxylic acid
CID 68459970
(S)-6-(((3-Fluoropyridin-2-yl)(4-(trifluoromethyl)phenyl)-methyl)carbamoyl)nicotinic Acid
CID 71144036
6-[[(3-Fluoropyridin-2-yl)-[4-(trifluoromethyl)phenyl]methyl]carbamoyl]pyridine-3-carboxylic acid
CID 71144037
6-[[[4-(Trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]carbamoyl]pyridine-3-carboxylic acid
CID 89310304

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide;cis-(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexan-1-amine;6-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of N-[(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide;cis-(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexan-1-amine;6-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride (CID 158867208) is N-[(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide;cis-(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexan-1-amine;6-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for N-[(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide;cis-(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexan-1-amine;6-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for N-[(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide;cis-(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexan-1-amine;6-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride is CCCCC1CCCN(C[C@@H]2CCCC[C@H]2N)C1.CCCCC1CCCN(C[C@@H]2CCCC[C@H]2NC(=O)c2ccc(C(F)(F)F)nc2)C1.Cl.O=C(O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide;cis-(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexan-1-amine;6-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride?
The InChIKey is TXKOJUAUNORBDI-KRDHXTNSSA-N. The full InChI is InChI=1S/C23H34F3N3O.C16H32N2.C7H4F3NO2.ClH/c1-2-3-7-17-8-6-13-29(15-17)16-19-9-4-5-10-20(19)28-22(30)18-11-12-21(27-14-18)23(24,25)26;1-2-3-7-14-8-6-11-18(12-14)13-15-9-4-5-10-16(15)17;8-7(9,10)5-2-1-4(3-11-5)6(12)13;/h11-12,14,17,19-20H,2-10,13,15-16H2,1H3,(H,28,30);14-16H,2-13,17H2,1H3;1-3H,(H,12,13);1H/t17?,19-,20+;14?,15-,16+;;/m00../s1.
What are the key properties of N-[(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide;cis-(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexan-1-amine;6-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride?
N-[(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide;cis-(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexan-1-amine;6-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 905.55 g/mol, XLogP of 10.92, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide;cis-(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexan-1-amine;6-(trifluoromethyl)pyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 158867208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).