2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide

C14H15ClN2OS — CID 60738646

IUPAC2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
SMILESCC(C)N(Cc1cccs1)C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C14H15ClN2OS/c1-10(2)17(9-12-4-3-7-19-12)14(18)11-5-6-16-13(15)8-11/h3-8,10H,9H2,1-2H3
InChIKeyWABSNUILUFAWPQ-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.85
Rot. Bonds4

About 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide

2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 60738646) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
PubChem CID60738646
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
SMILESCC(C)N(Cc1cccs1)C(=O)c1ccnc(Cl)c1
InChIInChI=1S/C14H15ClN2OS/c1-10(2)17(9-12-4-3-7-19-12)14(18)11-5-6-16-13(15)8-11/h3-8,10H,9H2,1-2H3
InChIKeyWABSNUILUFAWPQ-UHFFFAOYSA-N
XLogP3.85
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 107999475
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-sulfonamide
CID 61452159
4-fluoro-N-propan-2-yl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
CID 107024895
2-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide
CID 82948759
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 104742073
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
2-[2-ethoxy-4-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]phenoxy]acetic acid
CID 119180922
6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61455935
4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 63308182
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
2-(ethylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62174129
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 55115786

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide (CID 60738646) is 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide is CC(C)N(Cc1cccs1)C(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is WABSNUILUFAWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-10(2)17(9-12-4-3-7-19-12)14(18)11-5-6-16-13(15)8-11/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 294.81 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 60738646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).