4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxamide

C13H15N3OS — CID 104880016

IUPAC4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxamide
SMILESCCc1ccc(CNc2ccnc(C(N)=O)c2)s1
InChIInChI=1S/C13H15N3OS/c1-2-10-3-4-11(18-10)8-16-9-5-6-15-12(7-9)13(14)17/h3-7H,2,8H2,1H3,(H2,14,17)(H,15,16)
InChIKeyHVTLDPJSWSHHST-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.42
Rot. Bonds5

About 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxamide

4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxamide (PubChem CID 104880016) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxamide
PubChem CID104880016
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxamide
SMILESCCc1ccc(CNc2ccnc(C(N)=O)c2)s1
InChIInChI=1S/C13H15N3OS/c1-2-10-3-4-11(18-10)8-16-9-5-6-15-12(7-9)13(14)17/h3-7H,2,8H2,1H3,(H2,14,17)(H,15,16)
InChIKeyHVTLDPJSWSHHST-UHFFFAOYSA-N
XLogP2.42
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carbothioamide
CID 106010377
methyl 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate
CID 103702630
2-chloro-4-[(5-ethylthiophen-2-yl)methylamino]benzamide
CID 62346089
4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carboxamide
CID 54913654
N-[(5-ethylthiophen-2-yl)methyl]pyridin-4-amine
CID 103095282
methyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate
CID 60926082
4-[(3-amino-2,2-dimethylpropyl)amino]pyridine-2-carboxamide
CID 115366128
4-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxamide
CID 62640887
4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide
CID 83113933
4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxamide
CID 62228128
1-[[(2-carbamoyl-4-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441153
4-(1,3-benzodioxol-4-ylmethylamino)pyridine-2-carboxamide
CID 61212473

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxamide?
The IUPAC name of 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxamide (CID 104880016) is 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxamide is CCc1ccc(CNc2ccnc(C(N)=O)c2)s1.
What is the InChIKey of 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxamide?
The InChIKey is HVTLDPJSWSHHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-2-10-3-4-11(18-10)8-16-9-5-6-15-12(7-9)13(14)17/h3-7H,2,8H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxamide?
4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 104880016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).