4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxamide

C12H12ClN3OS — CID 54954320

IUPAC4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxamide
SMILESCC(Nc1ccnc(C(N)=O)c1)c1ccc(Cl)s1
InChIInChI=1S/C12H12ClN3OS/c1-7(10-2-3-11(13)18-10)16-8-4-5-15-9(6-8)12(14)17/h2-7H,1H3,(H2,14,17)(H,15,16)
InChIKeyUVBIKKPAZHJWAY-UHFFFAOYSA-N
MW281.77 g/mol
LogP3.07
Rot. Bonds4

About 4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxamide

4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxamide (PubChem CID 54954320) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxamide
PubChem CID54954320
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxamide
SMILESCC(Nc1ccnc(C(N)=O)c1)c1ccc(Cl)s1
InChIInChI=1S/C12H12ClN3OS/c1-7(10-2-3-11(13)18-10)16-8-4-5-15-9(6-8)12(14)17/h2-7H,1H3,(H2,14,17)(H,15,16)
InChIKeyUVBIKKPAZHJWAY-UHFFFAOYSA-N
XLogP3.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carbonitrile
CID 55209675
4-(1-cyclopropylethylamino)pyridine-2-carboxamide
CID 43533522
5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61468979
N,N-dimethyl-4-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-2-carboxamide
CID 61474383
4-[1-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 133270581
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzene-1,4-diamine
CID 54954956
3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43438966
4-(1-aminobutan-2-ylamino)pyridine-2-carboxamide
CID 63764940
4-[1-(5-chlorothiophen-2-yl)ethylamino]benzenecarbothioamide
CID 54954931
4-[(1-amino-4-methylpentan-3-yl)amino]pyridine-2-carboxamide
CID 106357604
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethoxyaniline
CID 43438960
N-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine
CID 43438915

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of 4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxamide (CID 54954320) is 4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for 4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxamide is CC(Nc1ccnc(C(N)=O)c1)c1ccc(Cl)s1.
What is the InChIKey of 4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxamide?
The InChIKey is UVBIKKPAZHJWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c1-7(10-2-3-11(13)18-10)16-8-4-5-15-9(6-8)12(14)17/h2-7H,1H3,(H2,14,17)(H,15,16).
What are the key properties of 4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxamide?
4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxamide has a molecular weight of 281.77 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 54954320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).