N-[3-(2-aminoethylcarbamoyl)-5-methylthiophen-2-yl]pyridine-3-carboxamide

C14H16N4O2S — CID 39162703

IUPACN-[3-(2-aminoethylcarbamoyl)-5-methylthiophen-2-yl]pyridine-3-carboxamide
SMILESCc1cc(C(=O)NCCN)c(NC(=O)c2cccnc2)s1
InChIInChI=1S/C14H16N4O2S/c1-9-7-11(13(20)17-6-4-15)14(21-9)18-12(19)10-3-2-5-16-8-10/h2-3,5,7-8H,4,6,15H2,1H3,(H,17,20)(H,18,19)
InChIKeyJXSDADHRAYZUGL-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.39
Rot. Bonds5

About N-[3-(2-aminoethylcarbamoyl)-5-methylthiophen-2-yl]pyridine-3-carboxamide

N-[3-(2-aminoethylcarbamoyl)-5-methylthiophen-2-yl]pyridine-3-carboxamide (PubChem CID 39162703) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[3-(2-aminoethylcarbamoyl)-5-methylthiophen-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-aminoethylcarbamoyl)-5-methylthiophen-2-yl]pyridine-3-carboxamide
PubChem CID39162703
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-[3-(2-aminoethylcarbamoyl)-5-methylthiophen-2-yl]pyridine-3-carboxamide
SMILESCc1cc(C(=O)NCCN)c(NC(=O)c2cccnc2)s1
InChIInChI=1S/C14H16N4O2S/c1-9-7-11(13(20)17-6-4-15)14(21-9)18-12(19)10-3-2-5-16-8-10/h2-3,5,7-8H,4,6,15H2,1H3,(H,17,20)(H,18,19)
InChIKeyJXSDADHRAYZUGL-UHFFFAOYSA-N
XLogP1.39
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylic acid
CID 28858736
N-(2-aminoethyl)-5-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxamide
CID 39162691
3-[[5-ethyl-2-(pyridine-3-carbonylamino)thiophene-3-carbonyl]amino]propanoic acid
CID 82033552
N-(2-aminoethyl)-5-methyl-2-(propanoylamino)thiophene-3-carboxamide
CID 39162635
N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 2985921
N-[3-[(2-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2992500
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
propan-2-yl 5-propan-2-yl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate
CID 17173909
2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
CID 53211442
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562
N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 86835946
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylcarbamoyl)-5-methylthiophen-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(2-aminoethylcarbamoyl)-5-methylthiophen-2-yl]pyridine-3-carboxamide (CID 39162703) is N-[3-(2-aminoethylcarbamoyl)-5-methylthiophen-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(2-aminoethylcarbamoyl)-5-methylthiophen-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(2-aminoethylcarbamoyl)-5-methylthiophen-2-yl]pyridine-3-carboxamide is Cc1cc(C(=O)NCCN)c(NC(=O)c2cccnc2)s1.
What is the InChIKey of N-[3-(2-aminoethylcarbamoyl)-5-methylthiophen-2-yl]pyridine-3-carboxamide?
The InChIKey is JXSDADHRAYZUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-9-7-11(13(20)17-6-4-15)14(21-9)18-12(19)10-3-2-5-16-8-10/h2-3,5,7-8H,4,6,15H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-(2-aminoethylcarbamoyl)-5-methylthiophen-2-yl]pyridine-3-carboxamide?
N-[3-(2-aminoethylcarbamoyl)-5-methylthiophen-2-yl]pyridine-3-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylcarbamoyl)-5-methylthiophen-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 39162703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).