6-[(5-chlorothiophen-2-yl)methylamino]pyridine-3-carboxamide

C11H10ClN3OS — CID 112727012

IUPAC6-[(5-chlorothiophen-2-yl)methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NCc2ccc(Cl)s2)nc1
InChIInChI=1S/C11H10ClN3OS/c12-9-3-2-8(17-9)6-15-10-4-1-7(5-14-10)11(13)16/h1-5H,6H2,(H2,13,16)(H,14,15)
InChIKeyHWDHLASUMBCDLQ-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.51
Rot. Bonds4

About 6-[(5-chlorothiophen-2-yl)methylamino]pyridine-3-carboxamide

6-[(5-chlorothiophen-2-yl)methylamino]pyridine-3-carboxamide (PubChem CID 112727012) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is 6-[(5-chlorothiophen-2-yl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-chlorothiophen-2-yl)methylamino]pyridine-3-carboxamide
PubChem CID112727012
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Name6-[(5-chlorothiophen-2-yl)methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NCc2ccc(Cl)s2)nc1
InChIInChI=1S/C11H10ClN3OS/c12-9-3-2-8(17-9)6-15-10-4-1-7(5-14-10)11(13)16/h1-5H,6H2,(H2,13,16)(H,14,15)
InChIKeyHWDHLASUMBCDLQ-UHFFFAOYSA-N
XLogP2.51
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 112722784
tert-butyl N-[5-[(5-chlorothiophen-2-yl)methylamino]-2-pyridinyl]carbamate
CID 103823865
6-(4-hydroxybutylamino)pyridine-3-carboxamide
CID 106842705
1-[[(5-carbamoyl-2-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441131
6-(hexylamino)pyridine-3-carboxamide
CID 112722796
6-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 62663227
6-[1-(5-methylthiophen-2-yl)propan-2-ylamino]pyridine-3-carboxamide
CID 78997302
2-[3-[(5-chlorothiophen-2-yl)methylamino]phenoxy]acetamide
CID 43720144
6-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-carboxamide
CID 103705247
6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridine-3-carboxamide
CID 115366055
6-(2-methoxypropylamino)pyridine-3-carboxamide
CID 102699145
6-[[1-(2-aminoethyl)cyclopropyl]methylamino]pyridine-3-carboxamide
CID 114759134

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chlorothiophen-2-yl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 6-[(5-chlorothiophen-2-yl)methylamino]pyridine-3-carboxamide (CID 112727012) is 6-[(5-chlorothiophen-2-yl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-chlorothiophen-2-yl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 6-[(5-chlorothiophen-2-yl)methylamino]pyridine-3-carboxamide is NC(=O)c1ccc(NCc2ccc(Cl)s2)nc1.
What is the InChIKey of 6-[(5-chlorothiophen-2-yl)methylamino]pyridine-3-carboxamide?
The InChIKey is HWDHLASUMBCDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c12-9-3-2-8(17-9)6-15-10-4-1-7(5-14-10)11(13)16/h1-5H,6H2,(H2,13,16)(H,14,15).
What are the key properties of 6-[(5-chlorothiophen-2-yl)methylamino]pyridine-3-carboxamide?
6-[(5-chlorothiophen-2-yl)methylamino]pyridine-3-carboxamide has a molecular weight of 267.74 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chlorothiophen-2-yl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 112727012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).