3-chloro-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide

C14H16ClN5O — CID 126427323

IUPAC3-chloro-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
SMILESCCn1ncnc1[C@H](NC(=O)c1ccncc1Cl)C1CC1
InChIInChI=1S/C14H16ClN5O/c1-2-20-13(17-8-18-20)12(9-3-4-9)19-14(21)10-5-6-16-7-11(10)15/h5-9,12H,2-4H2,1H3,(H,19,21)/t12-/m1/s1
InChIKeyQVDFHNMPIVAHDV-GFCCVEGCSA-N
MW305.77 g/mol
LogP2.23
Rot. Bonds5

About 3-chloro-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide

3-chloro-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 126427323) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 3-chloro-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
PubChem CID126427323
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name3-chloro-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
SMILESCCn1ncnc1[C@H](NC(=O)c1ccncc1Cl)C1CC1
InChIInChI=1S/C14H16ClN5O/c1-2-20-13(17-8-18-20)12(9-3-4-9)19-14(21)10-5-6-16-7-11(10)15/h5-9,12H,2-4H2,1H3,(H,19,21)/t12-/m1/s1
InChIKeyQVDFHNMPIVAHDV-GFCCVEGCSA-N
XLogP2.23
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylsulfanylbenzamide
CID 91794119
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 91778065
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 118778831
N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 126428818
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(2H-tetrazol-5-yl)benzamide
CID 118793931
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 50952833
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 91796045
N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-hydroxycyclohexane-1-carboxamide
CID 124753495
N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
CID 126446578
N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-6-carboxamide
CID 126442842
3-chloro-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]pyridine-4-carboxamide
CID 125443382
4-chloro-N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-ethylpyrazole-5-carboxamide
CID 95562906

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide (CID 126427323) is 3-chloro-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide is CCn1ncnc1[C@H](NC(=O)c1ccncc1Cl)C1CC1.
What is the InChIKey of 3-chloro-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is QVDFHNMPIVAHDV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16ClN5O/c1-2-20-13(17-8-18-20)12(9-3-4-9)19-14(21)10-5-6-16-7-11(10)15/h5-9,12H,2-4H2,1H3,(H,19,21)/t12-/m1/s1.
What are the key properties of 3-chloro-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide?
3-chloro-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 126427323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).