cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;6-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide

C33H53N7O — CID 158320192

IUPACcis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;6-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide
SMILESN[C@@H]1CCCC[C@H]1CN1CCCCC1.O=C(N[C@@H]1CCCC[C@H]1CN1CCCCC1)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C21H29N5O.C12H24N2/c27-21(17-8-9-20(23-14-17)26-13-10-22-16-26)24-19-7-3-2-6-18(19)15-25-11-4-1-5-12-25;13-12-7-3-2-6-11(12)10-14-8-4-1-5-9-14/h8-10,13-14,16,18-19H,1-7,11-12,15H2,(H,24,27);11-12H,1-10,13H2/t18-,19+;11-,12+/m00/s1
InChIKeyGOTDZPPVBYLYGC-ODUOYSRMSA-N
MW563.84 g/mol
LogP5.03
Rot. Bonds7

About cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;6-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide

cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;6-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide (PubChem CID 158320192) has the molecular formula C33H53N7O and a molecular weight of 563.84 g/mol. Its IUPAC name is cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;6-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;6-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide
PubChem CID158320192
Molecular FormulaC33H53N7O
Molecular Weight563.84 g/mol
Exact Mass563.43
IUPAC Namecis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;6-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide
SMILESN[C@@H]1CCCC[C@H]1CN1CCCCC1.O=C(N[C@@H]1CCCC[C@H]1CN1CCCCC1)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C21H29N5O.C12H24N2/c27-21(17-8-9-20(23-14-17)26-13-10-22-16-26)24-19-7-3-2-6-18(19)15-25-11-4-1-5-12-25;13-12-7-3-2-6-11(12)10-14-8-4-1-5-9-14/h8-10,13-14,16,18-19H,1-7,11-12,15H2,(H,24,27);11-12H,1-10,13H2/t18-,19+;11-,12+/m00/s1
InChIKeyGOTDZPPVBYLYGC-ODUOYSRMSA-N
XLogP5.03
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.84
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;6-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide with MolForge

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Related Compounds

cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 157156643
N-[(1S,2R)-2-(azepan-1-ylmethyl)cyclohexyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 59007447
6-imidazol-1-yl-N-[2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 69039593
cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-methoxy-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 159696252
cis-(1R,2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;N-[(1R,2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexyl]-4-imidazol-1-ylbenzamide;4-imidazol-1-ylbenzoic acid;hydrochloride
CID 162080390
N-[(1S,2R)-2-(azepan-1-ylmethyl)cyclohexyl]-4-pyrazol-1-ylbenzamide
CID 59007588
4-acetamido-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24871867
N-[(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-4-imidazol-1-ylbenzamide
CID 59007499
N-(cyclopropylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152532
4-(2-methoxyethoxy)-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24873264
N-[(1-hydroxycycloheptyl)methyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 111428654
N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-3-carboxamide
CID 24871869

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;6-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;6-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide (CID 158320192) is cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;6-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;6-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;6-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide is N[C@@H]1CCCC[C@H]1CN1CCCCC1.O=C(N[C@@H]1CCCC[C@H]1CN1CCCCC1)c1ccc(-n2ccnc2)nc1.
What is the InChIKey of cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;6-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide?
The InChIKey is GOTDZPPVBYLYGC-ODUOYSRMSA-N. The full InChI is InChI=1S/C21H29N5O.C12H24N2/c27-21(17-8-9-20(23-14-17)26-13-10-22-16-26)24-19-7-3-2-6-18(19)15-25-11-4-1-5-12-25;13-12-7-3-2-6-11(12)10-14-8-4-1-5-9-14/h8-10,13-14,16,18-19H,1-7,11-12,15H2,(H,24,27);11-12H,1-10,13H2/t18-,19+;11-,12+/m00/s1.
What are the key properties of cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;6-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide?
cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;6-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide has a molecular weight of 563.84 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;6-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 158320192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).