N-methyl-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide

C14H18N4OS — CID 62179926

IUPACN-methyl-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)N(C)Cc1cscn1
InChIInChI=1S/C14H18N4OS/c1-3-6-15-13-12(5-4-7-16-13)14(19)18(2)8-11-9-20-10-17-11/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,15,16)
InChIKeyWVRWCHREPZRAOP-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.63
Rot. Bonds6

About N-methyl-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide

N-methyl-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 62179926) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-methyl-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
PubChem CID62179926
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-methyl-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)N(C)Cc1cscn1
InChIInChI=1S/C14H18N4OS/c1-3-6-15-13-12(5-4-7-16-13)14(19)18(2)8-11-9-20-10-17-11/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,15,16)
InChIKeyWVRWCHREPZRAOP-UHFFFAOYSA-N
XLogP2.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 62169198
N-methyl-2-(propylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62168156
N-butyl-N-methyl-2-(propylamino)pyridine-3-carboxamide
CID 62186071
2-(ethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide
CID 63824011
N-methyl-N-(3-methylbutan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62168547
N-methyl-N-(2-methylbutan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 63961871
2-hydroxy-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 54990504
N-(2-chloro-3-pyridinyl)-N-methyl-2-(propylamino)pyridine-3-carboxamide
CID 19960025
2-(propylamino)pyridine-3-carboxylate
CID 22068597
ethyl 2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylate
CID 63831190
2-(ethylamino)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62176798
N-methyl-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 55134622

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide (CID 62179926) is N-methyl-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide is CCCNc1ncccc1C(=O)N(C)Cc1cscn1.
What is the InChIKey of N-methyl-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is WVRWCHREPZRAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-6-15-13-12(5-4-7-16-13)14(19)18(2)8-11-9-20-10-17-11/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,15,16).
What are the key properties of N-methyl-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide?
N-methyl-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 62179926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).