N-[2-(aminomethyl)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide

C18H25N5O — CID 119611569

IUPACN-[2-(aminomethyl)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NC3CCCCC3CN)cn2)n1
InChIInChI=1S/C18H25N5O/c1-12-9-13(2)23(22-12)17-8-7-15(11-20-17)18(24)21-16-6-4-3-5-14(16)10-19/h7-9,11,14,16H,3-6,10,19H2,1-2H3,(H,21,24)
InChIKeyHIVCTNKWLAGBRM-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.13
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide

N-[2-(aminomethyl)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide (PubChem CID 119611569) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
PubChem CID119611569
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NC3CCCCC3CN)cn2)n1
InChIInChI=1S/C18H25N5O/c1-12-9-13(2)23(22-12)17-8-7-15(11-20-17)18(24)21-16-6-4-3-5-14(16)10-19/h7-9,11,14,16H,3-6,10,19H2,1-2H3,(H,21,24)
InChIKeyHIVCTNKWLAGBRM-UHFFFAOYSA-N
XLogP2.13
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride
CID 120615887
6-(3,5-dimethylpyrazol-1-yl)-N-(oxan-4-yl)pyridine-3-carboxamide
CID 110091031
6-(3,5-dimethylpyrazol-1-yl)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119513330
6-(3,5-dimethylpyrazol-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyridine-3-carboxamide
CID 139009929
6-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 38024335
6-(3,5-dimethylpyrazol-1-yl)-N-(9H-xanthen-9-yl)pyridine-3-carboxamide
CID 56547167
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(methylamino)propyl]pyridine-3-carboxamide
CID 120827441
6-(3,5-dimethylpyrazol-1-yl)-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 166281433
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 86980602
3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-3-ethylpentanoic acid
CID 120532455
N-(3-aminobutyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119498289
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide (CID 119611569) is N-[2-(aminomethyl)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide is Cc1cc(C)n(-c2ccc(C(=O)NC3CCCCC3CN)cn2)n1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
The InChIKey is HIVCTNKWLAGBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-12-9-13(2)23(22-12)17-8-7-15(11-20-17)18(24)21-16-6-4-3-5-14(16)10-19/h7-9,11,14,16H,3-6,10,19H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 119611569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).