N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-3-carboxamide

C13H13N3O2S — CID 47378175

IUPACN-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-3-carboxamide
SMILESCc1cccnc1NC(=O)CNC(=O)c1ccsc1
InChIInChI=1S/C13H13N3O2S/c1-9-3-2-5-14-12(9)16-11(17)7-15-13(18)10-4-6-19-8-10/h2-6,8H,7H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyCHFADRULPVOVRF-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.82
Rot. Bonds4

About N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-3-carboxamide

N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-3-carboxamide (PubChem CID 47378175) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-3-carboxamide
PubChem CID47378175
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-3-carboxamide
SMILESCc1cccnc1NC(=O)CNC(=O)c1ccsc1
InChIInChI=1S/C13H13N3O2S/c1-9-3-2-5-14-12(9)16-11(17)7-15-13(18)10-4-6-19-8-10/h2-6,8H,7H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyCHFADRULPVOVRF-UHFFFAOYSA-N
XLogP1.82
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-3-carboxamide
CID 47377756
N-[2-(2-hydroxyanilino)-2-oxoethyl]thiophene-3-carboxamide
CID 47378451
N-[2-[[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 43035097
N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide
CID 35032384
N-(3-methyl-2-pyridinyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 35033079
N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 18107080
4-methyl-N-(3-methyl-2-pyridinyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 35033188
2-anilino-N-(3-methyl-2-pyridinyl)acetamide
CID 60860277
2-cyclopentyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]acetamide
CID 60620489
4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid
CID 810222
5-bromo-N-(3-methyl-2-pyridinyl)pentanamide
CID 107907296
4-amino-N-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 115597400

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-3-carboxamide (CID 47378175) is N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-3-carboxamide is Cc1cccnc1NC(=O)CNC(=O)c1ccsc1.
What is the InChIKey of N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-3-carboxamide?
The InChIKey is CHFADRULPVOVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-9-3-2-5-14-12(9)16-11(17)7-15-13(18)10-4-6-19-8-10/h2-6,8H,7H2,1H3,(H,15,18)(H,14,16,17).
What are the key properties of N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-3-carboxamide?
N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-3-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-3-carboxamide is sourced from PubChem (CID 47378175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).