N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(propylamino)pyridine-3-carboxamide

C14H18N4OS — CID 62176173

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NCc2cnc(C)s2)cn1
InChIInChI=1S/C14H18N4OS/c1-3-6-15-13-5-4-11(7-17-13)14(19)18-9-12-8-16-10(2)20-12/h4-5,7-8H,3,6,9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyFLLVNMINTYUPEW-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.60
Rot. Bonds6

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(propylamino)pyridine-3-carboxamide

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(propylamino)pyridine-3-carboxamide (PubChem CID 62176173) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(propylamino)pyridine-3-carboxamide
PubChem CID62176173
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)NCc2cnc(C)s2)cn1
InChIInChI=1S/C14H18N4OS/c1-3-6-15-13-5-4-11(7-17-13)14(19)18-9-12-8-16-10(2)20-12/h4-5,7-8H,3,6,9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyFLLVNMINTYUPEW-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

6-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 66462161
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(propylamino)pyridine-4-carboxamide
CID 105069218
4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 39855026
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86836166
6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237936
N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62166042
N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 86835946
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(propylamino)pyridine-3-carboxamide
CID 106408591
N-(2-methylbutyl)-6-(propylamino)pyridine-3-carboxamide
CID 62693585
N-(2-ethoxyethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62187218
6-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 62172448
N-[2-(tert-butylamino)-2-oxoethyl]-6-(propylamino)pyridine-3-carboxamide
CID 115357188

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(propylamino)pyridine-3-carboxamide (CID 62176173) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(propylamino)pyridine-3-carboxamide is CCCNc1ccc(C(=O)NCc2cnc(C)s2)cn1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(propylamino)pyridine-3-carboxamide?
The InChIKey is FLLVNMINTYUPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-6-15-13-5-4-11(7-17-13)14(19)18-9-12-8-16-10(2)20-12/h4-5,7-8H,3,6,9H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(propylamino)pyridine-3-carboxamide?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(propylamino)pyridine-3-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-5-yl)methyl]-6-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62176173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).