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

C14H18N4OS — CID 62174606

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCc2csc(C)n2)ccn1
InChIInChI=1S/C14H18N4OS/c1-3-5-15-13-7-11(4-6-16-13)14(19)17-8-12-9-20-10(2)18-12/h4,6-7,9H,3,5,8H2,1-2H3,(H,15,16)(H,17,19)
InChIKeyOYOUGZQCJIZWLH-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.60
Rot. Bonds6

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide (PubChem CID 62174606) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
PubChem CID62174606
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCc2csc(C)n2)ccn1
InChIInChI=1S/C14H18N4OS/c1-3-5-15-13-7-11(4-6-16-13)14(19)17-8-12-9-20-10(2)18-12/h4,6-7,9H,3,5,8H2,1-2H3,(H,15,16)(H,17,19)
InChIKeyOYOUGZQCJIZWLH-UHFFFAOYSA-N
XLogP2.60
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
N-(2,2-dimethylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 62179912
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62174071
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 62178161
N-(2-methylbutyl)-2-(propylamino)pyridine-4-carboxamide
CID 62694218
N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62170975
N-(furan-2-ylmethyl)-2-(propylamino)pyridine-4-carboxamide
CID 62172710
4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyridine-2,4-diamine
CID 106041619
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 81240490
N-[2-(diethylamino)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62173284
N-(4-amino-4-oxobutyl)-2-(propylamino)pyridine-4-carboxamide
CID 55046885
N-[2-(dimethylamino)-2-methylpropyl]-2-(propylamino)pyridine-4-carboxamide
CID 62177285

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide (CID 62174606) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)NCc2csc(C)n2)ccn1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is OYOUGZQCJIZWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-5-15-13-7-11(4-6-16-13)14(19)17-8-12-9-20-10(2)18-12/h4,6-7,9H,3,5,8H2,1-2H3,(H,15,16)(H,17,19).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62174606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).