N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide

C14H19N5O3 — CID 126443312

IUPACN-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCOCCn1cnnc1[C@H](C)NC(=O)c1cccn(C)c1=O
InChIInChI=1S/C14H19N5O3/c1-10(12-17-15-9-19(12)7-8-22-3)16-13(20)11-5-4-6-18(2)14(11)21/h4-6,9-10H,7-8H2,1-3H3,(H,16,20)/t10-/m0/s1
InChIKeySECQQFDCNMQKSH-JTQLQIEISA-N
MW305.34 g/mol
LogP0.11
Rot. Bonds6

About N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide

N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 126443312) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID126443312
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC NameN-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCOCCn1cnnc1[C@H](C)NC(=O)c1cccn(C)c1=O
InChIInChI=1S/C14H19N5O3/c1-10(12-17-15-9-19(12)7-8-22-3)16-13(20)11-5-4-6-18(2)14(11)21/h4-6,9-10H,7-8H2,1-3H3,(H,16,20)/t10-/m0/s1
InChIKeySECQQFDCNMQKSH-JTQLQIEISA-N
XLogP0.11
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide with MolForge

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Related Compounds

N-({1-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-3-yl}methyl)-2-hydroxynicotinamide
CID 56703242
2-hydroxy-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylnicotinamide
CID 70728441
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 45895777
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 53532976
3-(5-bromo-2-oxo-1-pyridinyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 60559275
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 61217309
2-(5-amino-2-oxo-1-pyridinyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 62816720
2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 63329061
N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 64510339
2-hydroxy-N-{[4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]methyl}-5,6-dimethylnicotinamide
CID 70705641
2-cyclopropyl-4-hydroxy-N-{1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}pyrimidine-5-carboxamide
CID 70727687
6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 72048230

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 126443312) is N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide is COCCn1cnnc1[C@H](C)NC(=O)c1cccn(C)c1=O.
What is the InChIKey of N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is SECQQFDCNMQKSH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N5O3/c1-10(12-17-15-9-19(12)7-8-22-3)16-13(20)11-5-4-6-18(2)14(11)21/h4-6,9-10H,7-8H2,1-3H3,(H,16,20)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 126443312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).