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

C14H18N4OS — CID 81240490

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)NCc1csc(C)n1
InChIInChI=1S/C14H18N4OS/c1-3-5-16-13-4-6-15-8-12(13)14(19)17-7-11-9-20-10(2)18-11/h4,6,8-9H,3,5,7H2,1-2H3,(H,15,16)(H,17,19)
InChIKeyWCHCKDPAYKEKDX-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.60
Rot. Bonds6

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-3-carboxamide (PubChem CID 81240490) 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]-4-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
PubChem CID81240490
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)NCc1csc(C)n1
InChIInChI=1S/C14H18N4OS/c1-3-5-16-13-4-6-15-8-12(13)14(19)17-7-11-9-20-10(2)18-11/h4,6,8-9H,3,5,7H2,1-2H3,(H,15,16)(H,17,19)
InChIKeyWCHCKDPAYKEKDX-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-[(3-methyl-4-pyridinyl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 114701819
4-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 81241625
4-hydrazinyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide
CID 114139724
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 106377308
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62174071
N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 83115001
N-[3-oxo-3-(propylamino)propyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237252
5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62174433
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 62174606
N-[2-[ethyl(methyl)amino]ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81240941
N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide
CID 81234637
N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47290675

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-3-carboxamide (CID 81240490) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-3-carboxamide is CCCNc1ccncc1C(=O)NCc1csc(C)n1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-3-carboxamide?
The InChIKey is WCHCKDPAYKEKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-5-16-13-4-6-15-8-12(13)14(19)17-7-11-9-20-10(2)18-11/h4,6,8-9H,3,5,7H2,1-2H3,(H,15,16)(H,17,19).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-3-carboxamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(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-4-yl)methyl]-4-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81240490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).