N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-3-carboxamide

C19H22N6O — CID 53378704

IUPACN-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-3-carboxamide
SMILESN#CC1(n2cc([C@@H](NC(=O)c3cccnc3)C3CCCCC3)nn2)CC1
InChIInChI=1S/C19H22N6O/c20-13-19(8-9-19)25-12-16(23-24-25)17(14-5-2-1-3-6-14)22-18(26)15-7-4-10-21-11-15/h4,7,10-12,14,17H,1-3,5-6,8-9H2,(H,22,26)/t17-/m0/s1
InChIKeyLALWATJRULEQFU-KRWDZBQOSA-N
MW350.43 g/mol
LogP2.74
Rot. Bonds5

About N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-3-carboxamide

N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-3-carboxamide (PubChem CID 53378704) 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-3-carboxamide.

Molecular Properties

Compound NameN-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-3-carboxamide
PubChem CID53378704
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-3-carboxamide
SMILESN#CC1(n2cc([C@@H](NC(=O)c3cccnc3)C3CCCCC3)nn2)CC1
InChIInChI=1S/C19H22N6O/c20-13-19(8-9-19)25-12-16(23-24-25)17(14-5-2-1-3-6-14)22-18(26)15-7-4-10-21-11-15/h4,7,10-12,14,17H,1-3,5-6,8-9H2,(H,22,26)/t17-/m0/s1
InChIKeyLALWATJRULEQFU-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]-1,2-thiazole-5-carboxamide
CID 71452495
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-1,3-thiazole-2-carboxamide
CID 71463174
N-[[1-(1-cyanocyclopropyl)triazol-4-yl]-(oxan-4-yl)methyl]thiophene-3-carboxamide
CID 78072176
(E)-3-[(Z)-but-2-en-2-yl]sulfanyl-N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]prop-2-enamide
CID 53377977
N-[(1S)-1-cycloheptyl-2-hydroxyethyl]pyridine-3-carboxamide
CID 141444032
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)pyridine-3-carboxamide
CID 61123796
N-(2-amino-1-cyclopentylethyl)pyridine-3-carboxamide
CID 106737538
1-[4-[(1S,3S)-1-cyclohexyl-4,4,4-trifluoro-3-phenylbutyl]triazol-1-yl]cyclopropane-1-carbonitrile
CID 146876766
N-[cyclohexyl-[1-[1-[(methylideneamino)methyl]cyclopropyl]triazol-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 123205706
N-cyclopentylpyridine-3-carboxamide
CID 805532
(E)-N-[(S)-[1-(4-cyanopiperidin-4-yl)triazol-4-yl]-(4-methylcyclohexyl)methyl]-3-[(Z)-prop-1-enyl]sulfanylprop-2-enamide
CID 53377868
N-[(S)-[7-[cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]pyridine-3-carboxamide
CID 167245317

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-3-carboxamide?
The IUPAC name of N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-3-carboxamide (CID 53378704) is N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-3-carboxamide is N#CC1(n2cc([C@@H](NC(=O)c3cccnc3)C3CCCCC3)nn2)CC1.
What is the InChIKey of N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-3-carboxamide?
The InChIKey is LALWATJRULEQFU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N6O/c20-13-19(8-9-19)25-12-16(23-24-25)17(14-5-2-1-3-6-14)22-18(26)15-7-4-10-21-11-15/h4,7,10-12,14,17H,1-3,5-6,8-9H2,(H,22,26)/t17-/m0/s1.
What are the key properties of N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-3-carboxamide?
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]pyridine-3-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-3-carboxamide is sourced from PubChem (CID 53378704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).