1-methyl-6-oxo-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide

C12H15N5O2 — CID 97313855

IUPAC1-methyl-6-oxo-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide
SMILESC[C@@H](Cn1cncn1)NC(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C12H15N5O2/c1-9(5-17-8-13-7-14-17)15-12(19)10-3-4-11(18)16(2)6-10/h3-4,6-9H,5H2,1-2H3,(H,15,19)/t9-/m0/s1
InChIKeyUCLMYZYPXPRJJP-VIFPVBQESA-N
MW261.28 g/mol
LogP-0.20
Rot. Bonds4

About 1-methyl-6-oxo-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide

1-methyl-6-oxo-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide (PubChem CID 97313855) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide
PubChem CID97313855
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name1-methyl-6-oxo-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide
SMILESC[C@@H](Cn1cncn1)NC(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C12H15N5O2/c1-9(5-17-8-13-7-14-17)15-12(19)10-3-4-11(18)16(2)6-10/h3-4,6-9H,5H2,1-2H3,(H,15,19)/t9-/m0/s1
InChIKeyUCLMYZYPXPRJJP-VIFPVBQESA-N
XLogP-0.20
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide (CID 97313855) is 1-methyl-6-oxo-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide is C[C@@H](Cn1cncn1)NC(=O)c1ccc(=O)n(C)c1.
What is the InChIKey of 1-methyl-6-oxo-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide?
The InChIKey is UCLMYZYPXPRJJP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N5O2/c1-9(5-17-8-13-7-14-17)15-12(19)10-3-4-11(18)16(2)6-10/h3-4,6-9H,5H2,1-2H3,(H,15,19)/t9-/m0/s1.
What are the key properties of 1-methyl-6-oxo-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide?
1-methyl-6-oxo-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 97313855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).