N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-4-carboxamide

C19H22N6O — CID 53378705

IUPACN-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-4-carboxamide
SMILESN#CC1(n2cc([C@@H](NC(=O)c3ccncc3)C3CCCCC3)nn2)CC1
InChIInChI=1S/C19H22N6O/c20-13-19(8-9-19)25-12-16(23-24-25)17(14-4-2-1-3-5-14)22-18(26)15-6-10-21-11-7-15/h6-7,10-12,14,17H,1-5,8-9H2,(H,22,26)/t17-/m0/s1
InChIKeyOFMFERPZRDYDHR-KRWDZBQOSA-N
MW350.43 g/mol
LogP2.74
Rot. Bonds5

About N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-4-carboxamide

N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-4-carboxamide (PubChem CID 53378705) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-4-carboxamide
PubChem CID53378705
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-4-carboxamide
SMILESN#CC1(n2cc([C@@H](NC(=O)c3ccncc3)C3CCCCC3)nn2)CC1
InChIInChI=1S/C19H22N6O/c20-13-19(8-9-19)25-12-16(23-24-25)17(14-4-2-1-3-5-14)22-18(26)15-6-10-21-11-7-15/h6-7,10-12,14,17H,1-5,8-9H2,(H,22,26)/t17-/m0/s1
InChIKeyOFMFERPZRDYDHR-KRWDZBQOSA-N
XLogP2.74
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-4-(cyclopropanecarbonylamino)benzamide
CID 53377644
N-[(2S)-2-{1-[(1S)-1-cyanopentyl]-1H-1,2,3-triazol-4-yl}-3-methylbutan-2-yl]benzamide
CID 16090559
N-[(1S)-1-{1-[(1S)-1-cyanopentyl]-1H-1,2,3-triazol-4-yl}-1-cyclohexylethyl]benzamide
CID 16090561
2-benzyl-N-cyclopropyl-6-(1-methyl-1H-1,2,3-triazol-4-yl)isonicotinamide
CID 155818571
1-[1-(4-Methylphenyl)ethyl]-N-(pyridin-2-ylmethyl)-1,2,3-triazole-4-carboxamide
CID 6483911
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]benzamide
CID 53377976
4-acetamido-N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]benzamide
CID 53378078
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-4-(trifluoromethyl)benzamide
CID 53378082
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-3-carboxamide
CID 53378704
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-2-methylbenzamide
CID 53378920
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-4-methylbenzamide
CID 53378922
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-2-fluorobenzamide
CID 53378924

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-4-carboxamide?
The IUPAC name of N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-4-carboxamide (CID 53378705) is N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-4-carboxamide is N#CC1(n2cc([C@@H](NC(=O)c3ccncc3)C3CCCCC3)nn2)CC1.
What is the InChIKey of N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-4-carboxamide?
The InChIKey is OFMFERPZRDYDHR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N6O/c20-13-19(8-9-19)25-12-16(23-24-25)17(14-4-2-1-3-5-14)22-18(26)15-6-10-21-11-7-15/h6-7,10-12,14,17H,1-5,8-9H2,(H,22,26)/t17-/m0/s1.
What are the key properties of N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-4-carboxamide?
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-4-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-4-carboxamide is sourced from PubChem (CID 53378705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).