(3S,4S)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide

C14H18N6O2 — CID 167792405

IUPAC(3S,4S)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESCOc1n[nH]c(NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)n1
InChIInChI=1S/C14H18N6O2/c1-9-7-20(11-5-3-4-6-15-11)8-10(9)12(21)16-13-17-14(22-2)19-18-13/h3-6,9-10H,7-8H2,1-2H3,(H2,16,17,18,19,21)/t9-,10-/m1/s1
InChIKeyYRTWYLNOSDHILF-NXEZZACHSA-N
MW302.34 g/mol
LogP0.92
Rot. Bonds4

About (3S,4S)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide

(3S,4S)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide (PubChem CID 167792405) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is (3S,4S)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
PubChem CID167792405
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name(3S,4S)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESCOc1n[nH]c(NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)n1
InChIInChI=1S/C14H18N6O2/c1-9-7-20(11-5-3-4-6-15-11)8-10(9)12(21)16-13-17-14(22-2)19-18-13/h3-6,9-10H,7-8H2,1-2H3,(H2,16,17,18,19,21)/t9-,10-/m1/s1
InChIKeyYRTWYLNOSDHILF-NXEZZACHSA-N
XLogP0.92
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,4S)-N-[2-(dimethylamino)-3-pyridinyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 154798977
(3S,4S)-4-methyl-N-(4-methyl-3-pyridinyl)-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 128977351
(3S,4S)-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 128987227
(3S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 154814596
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyridin-2-ylacetamide
CID 83101826
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127200
(3S,4S)-N-[1-(2-cyanoethyl)pyrazol-3-yl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 128984281
(3S,4S)-N-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 128977916
(3S,4S)-4-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-pyridin-2-ylpyrrolidine-3-carboxamide
CID 136581855
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
[(3S,4S)-4-methyl-1-pyridin-2-ylpyrrolidin-3-yl]-(4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepin-5-yl)methanone
CID 139020528
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methyl-2-phenylpropanamide
CID 83092749

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide (CID 167792405) is (3S,4S)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide is COc1n[nH]c(NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)n1.
What is the InChIKey of (3S,4S)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is YRTWYLNOSDHILF-NXEZZACHSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-9-7-20(11-5-3-4-6-15-11)8-10(9)12(21)16-13-17-14(22-2)19-18-13/h3-6,9-10H,7-8H2,1-2H3,(H2,16,17,18,19,21)/t9-,10-/m1/s1.
What are the key properties of (3S,4S)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide?
(3S,4S)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 302.34 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-1-pyridin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 167792405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).