6-methyl-4-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide

C13H18N6O — CID 81244929

IUPAC6-methyl-4-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
SMILESCCCNc1cc(C)ncc1C(=O)NCc1ncn[nH]1
InChIInChI=1S/C13H18N6O/c1-3-4-14-11-5-9(2)15-6-10(11)13(20)16-7-12-17-8-18-19-12/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)(H,16,20)(H,17,18,19)
InChIKeyVFROTESDLAVPSQ-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.26
Rot. Bonds6

About 6-methyl-4-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide

6-methyl-4-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide (PubChem CID 81244929) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 6-methyl-4-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
PubChem CID81244929
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name6-methyl-4-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
SMILESCCCNc1cc(C)ncc1C(=O)NCc1ncn[nH]1
InChIInChI=1S/C13H18N6O/c1-3-4-14-11-5-9(2)15-6-10(11)13(20)16-7-12-17-8-18-19-12/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)(H,16,20)(H,17,18,19)
InChIKeyVFROTESDLAVPSQ-UHFFFAOYSA-N
XLogP1.26
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 81233813
5-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64523200
N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81235324
6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237936
6-methyl-N-[2-oxo-2-(propylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237526
4-(ethylamino)-6-methyl-N-propylpyridine-3-carboxamide
CID 81236373
N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81243009
N-(3-amino-3-oxopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81243302
6-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 81235154
6-methyl-N-(6-oxo-1H-pyridazin-3-yl)-4-(propylamino)pyridine-3-carboxamide
CID 116787996
N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81235673
6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 81238764

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide (CID 81244929) is 6-methyl-4-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide is CCCNc1cc(C)ncc1C(=O)NCc1ncn[nH]1.
What is the InChIKey of 6-methyl-4-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide?
The InChIKey is VFROTESDLAVPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-3-4-14-11-5-9(2)15-6-10(11)13(20)16-7-12-17-8-18-19-12/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)(H,16,20)(H,17,18,19).
What are the key properties of 6-methyl-4-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide?
6-methyl-4-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 1.26, 6 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-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 81244929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).