4-chloro-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide

C16H14ClN3OS — CID 119059655

IUPAC4-chloro-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(c1cc(Cl)c[nH]1)N(Cc1cccnc1)Cc1ccsc1
InChIInChI=1S/C16H14ClN3OS/c17-14-6-15(19-8-14)16(21)20(10-13-3-5-22-11-13)9-12-2-1-4-18-7-12/h1-8,11,19H,9-10H2
InChIKeyLHHXIEKPDUIQAY-UHFFFAOYSA-N
MW331.83 g/mol
LogP3.97
Rot. Bonds5

About 4-chloro-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide

4-chloro-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 119059655) has the molecular formula C16H14ClN3OS and a molecular weight of 331.83 g/mol. Its IUPAC name is 4-chloro-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID119059655
Molecular FormulaC16H14ClN3OS
Molecular Weight331.83 g/mol
Exact Mass331.05
IUPAC Name4-chloro-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(c1cc(Cl)c[nH]1)N(Cc1cccnc1)Cc1ccsc1
InChIInChI=1S/C16H14ClN3OS/c17-14-6-15(19-8-14)16(21)20(10-13-3-5-22-11-13)9-12-2-1-4-18-7-12/h1-8,11,19H,9-10H2
InChIKeyLHHXIEKPDUIQAY-UHFFFAOYSA-N
XLogP3.97
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine
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CID 21046141
N-[(3,5-dichlorophenyl)methyl]-3-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 168853807
N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide
CID 74237314
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-chloro-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 129473894
N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide
CID 39952479
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide
CID 42796243
N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 50980902
N-[2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]ethyl]pyridine-3-carboxamide
CID 39578256
N-methyl-5-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46492404
3,5-dinitro-N,N-bis(pyridin-3-ylmethyl)benzamide
CID 132554500
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796236

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide (CID 119059655) is 4-chloro-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide is O=C(c1cc(Cl)c[nH]1)N(Cc1cccnc1)Cc1ccsc1.
What is the InChIKey of 4-chloro-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is LHHXIEKPDUIQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS/c17-14-6-15(19-8-14)16(21)20(10-13-3-5-22-11-13)9-12-2-1-4-18-7-12/h1-8,11,19H,9-10H2.
What are the key properties of 4-chloro-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide?
4-chloro-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 331.83 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 119059655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).