6-methyl-4-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide

C14H20N6O — CID 81233813

IUPAC6-methyl-4-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
SMILESCCCNc1cc(C)ncc1C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C14H20N6O/c1-3-5-15-12-7-10(2)17-8-11(12)14(21)16-6-4-13-18-9-19-20-13/h7-9H,3-6H2,1-2H3,(H,15,17)(H,16,21)(H,18,19,20)
InChIKeyMMMCVHMZLQFGSE-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.30
Rot. Bonds7

About 6-methyl-4-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide

6-methyl-4-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide (PubChem CID 81233813) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 6-methyl-4-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
PubChem CID81233813
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name6-methyl-4-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
SMILESCCCNc1cc(C)ncc1C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C14H20N6O/c1-3-5-15-12-7-10(2)17-8-11(12)14(21)16-6-4-13-18-9-19-20-13/h7-9H,3-6H2,1-2H3,(H,15,17)(H,16,21)(H,18,19,20)
InChIKeyMMMCVHMZLQFGSE-UHFFFAOYSA-N
XLogP1.30
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 81244929
N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81235324
6-methyl-4-(propylamino)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 81238896
4-(ethylamino)-6-methyl-N-propylpyridine-3-carboxamide
CID 81236373
N-(3-amino-3-oxopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81243302
6-methyl-N-[2-oxo-2-(propylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237526
N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81243009
6-methyl-N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)pyridine-3-carboxamide
CID 116787996
6-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81238236
6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237936
5-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64523200
6-methyl-4-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 81233882

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide (CID 81233813) is 6-methyl-4-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide is CCCNc1cc(C)ncc1C(=O)NCCc1ncn[nH]1.
What is the InChIKey of 6-methyl-4-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is MMMCVHMZLQFGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-3-5-15-12-7-10(2)17-8-11(12)14(21)16-6-4-13-18-9-19-20-13/h7-9H,3-6H2,1-2H3,(H,15,17)(H,16,21)(H,18,19,20).
What are the key properties of 6-methyl-4-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide?
6-methyl-4-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 288.36 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 81233813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).