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

C14H20N6O — CID 81238764

IUPAC6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1cc(C)ncc1C(=O)NCc1nncn1C
InChIInChI=1S/C14H20N6O/c1-4-5-15-12-6-10(2)16-7-11(12)14(21)17-8-13-19-18-9-20(13)3/h6-7,9H,4-5,8H2,1-3H3,(H,15,16)(H,17,21)
InChIKeyJXYVRKVICLAIDK-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.27
Rot. Bonds6

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

6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(propylamino)pyridine-3-carboxamide (PubChem CID 81238764) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
PubChem CID81238764
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1cc(C)ncc1C(=O)NCc1nncn1C
InChIInChI=1S/C14H20N6O/c1-4-5-15-12-6-10(2)16-7-11(12)14(21)17-8-13-19-18-9-20(13)3/h6-7,9H,4-5,8H2,1-3H3,(H,15,16)(H,17,21)
InChIKeyJXYVRKVICLAIDK-UHFFFAOYSA-N
XLogP1.27
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(ethylamino)-6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 81243046
6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid
CID 81244751
N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81235324
N-(3-amino-3-oxopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81243302
6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237936
6-methyl-4-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 81244929
6-methyl-N-[2-oxo-2-(propylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237526
6-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81238236
4-(ethylamino)-6-methyl-N-propylpyridine-3-carboxamide
CID 81236373
N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81243009
6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 81235154
N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81235673

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(propylamino)pyridine-3-carboxamide (CID 81238764) is 6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(propylamino)pyridine-3-carboxamide is CCCNc1cc(C)ncc1C(=O)NCc1nncn1C.
What is the InChIKey of 6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(propylamino)pyridine-3-carboxamide?
The InChIKey is JXYVRKVICLAIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-4-5-15-12-6-10(2)16-7-11(12)14(21)17-8-13-19-18-9-20(13)3/h6-7,9H,4-5,8H2,1-3H3,(H,15,16)(H,17,21).
What are the key properties of 6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(propylamino)pyridine-3-carboxamide?
6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(propylamino)pyridine-3-carboxamide has a molecular weight of 288.36 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81238764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).