1-cyclopropyl-N,4-dimethyl-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide

C17H23N5O2 — CID 172669335

IUPAC1-cyclopropyl-N,4-dimethyl-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
SMILESCCCn1cnnc1CN(C)C(=O)c1c(C)ccn(C2CC2)c1=O
InChIInChI=1S/C17H23N5O2/c1-4-8-21-11-18-19-14(21)10-20(3)16(23)15-12(2)7-9-22(17(15)24)13-5-6-13/h7,9,11,13H,4-6,8,10H2,1-3H3
InChIKeyDPNOPVIBFJWZIT-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.77
Rot. Bonds6

About 1-cyclopropyl-N,4-dimethyl-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide

1-cyclopropyl-N,4-dimethyl-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 172669335) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-cyclopropyl-N,4-dimethyl-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N,4-dimethyl-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
PubChem CID172669335
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-cyclopropyl-N,4-dimethyl-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
SMILESCCCn1cnnc1CN(C)C(=O)c1c(C)ccn(C2CC2)c1=O
InChIInChI=1S/C17H23N5O2/c1-4-8-21-11-18-19-14(21)10-20(3)16(23)15-12(2)7-9-22(17(15)24)13-5-6-13/h7,9,11,13H,4-6,8,10H2,1-3H3
InChIKeyDPNOPVIBFJWZIT-UHFFFAOYSA-N
XLogP1.77
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N,4-dimethyl-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N,4-dimethyl-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide (CID 172669335) is 1-cyclopropyl-N,4-dimethyl-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N,4-dimethyl-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N,4-dimethyl-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide is CCCn1cnnc1CN(C)C(=O)c1c(C)ccn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-N,4-dimethyl-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is DPNOPVIBFJWZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-4-8-21-11-18-19-14(21)10-20(3)16(23)15-12(2)7-9-22(17(15)24)13-5-6-13/h7,9,11,13H,4-6,8,10H2,1-3H3.
What are the key properties of 1-cyclopropyl-N,4-dimethyl-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
1-cyclopropyl-N,4-dimethyl-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N,4-dimethyl-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 172669335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).