N-[1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]thiophene-2-carboxamide

C15H17N3O2S — CID 51301332

IUPACN-[1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)NCCc1ccccn1
InChIInChI=1S/C15H17N3O2S/c1-11(18-15(20)13-6-4-10-21-13)14(19)17-9-7-12-5-2-3-8-16-12/h2-6,8,10-11H,7,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyVQVVYIVIBXWNKB-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.62
Rot. Bonds6

About N-[1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]thiophene-2-carboxamide

N-[1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]thiophene-2-carboxamide (PubChem CID 51301332) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]thiophene-2-carboxamide
PubChem CID51301332
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1cccs1)C(=O)NCCc1ccccn1
InChIInChI=1S/C15H17N3O2S/c1-11(18-15(20)13-6-4-10-21-13)14(19)17-9-7-12-5-2-3-8-16-12/h2-6,8,10-11H,7,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyVQVVYIVIBXWNKB-UHFFFAOYSA-N
XLogP1.62
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]propyl]thiophene-2-carboxamide
CID 111191880
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide
CID 51305133
benzyl N-[(2S)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]carbamate
CID 18108915
N-[1-oxo-1-[3-(1H-1,2,4-triazol-5-yl)propylamino]propan-2-yl]thiophene-2-carboxamide
CID 64517630
N-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51299013
2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 24698631
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 119527410
N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51298987
N-[(1R)-1-pyridin-2-ylethyl]thiophene-2-carboxamide
CID 35940231
N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide
CID 35973505

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]thiophene-2-carboxamide (CID 51301332) is N-[1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1cccs1)C(=O)NCCc1ccccn1.
What is the InChIKey of N-[1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]thiophene-2-carboxamide?
The InChIKey is VQVVYIVIBXWNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-11(18-15(20)13-6-4-10-21-13)14(19)17-9-7-12-5-2-3-8-16-12/h2-6,8,10-11H,7,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]thiophene-2-carboxamide?
N-[1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]thiophene-2-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 51301332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).