4-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide

C14H17N3OS — CID 81241625

IUPAC4-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)NCc1ccsc1
InChIInChI=1S/C14H17N3OS/c1-2-5-16-13-3-6-15-9-12(13)14(18)17-8-11-4-7-19-10-11/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyGFPZMYCQWCYRJQ-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.89
Rot. Bonds6

About 4-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide

4-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 81241625) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
PubChem CID81241625
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name4-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)NCc1ccsc1
InChIInChI=1S/C14H17N3OS/c1-2-5-16-13-3-6-15-9-12(13)14(18)17-8-11-4-7-19-10-11/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyGFPZMYCQWCYRJQ-UHFFFAOYSA-N
XLogP2.89
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-4-pyridinyl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 114701819
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 81240490
N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide
CID 81234637
N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 83115001
N-[3-oxo-3-(propylamino)propyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237252
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 106377308
N-[2-[ethyl(methyl)amino]ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81240941
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(propylamino)pyridine-3-carboxamide
CID 106280042
4-(propylamino)-N-(thian-2-ylmethyl)pyridine-3-carboxamide
CID 81245780
4-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 81240630
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81234341
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 106422913

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 4-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide (CID 81241625) is 4-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide is CCCNc1ccncc1C(=O)NCc1ccsc1.
What is the InChIKey of 4-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is GFPZMYCQWCYRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-5-16-13-3-6-15-9-12(13)14(18)17-8-11-4-7-19-10-11/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide?
4-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 81241625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).