N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide

C14H15N3O2S — CID 35973505

IUPACN-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide
SMILESC[C@H](NC(=O)c1cccs1)C(=O)NCc1cccnc1
InChIInChI=1S/C14H15N3O2S/c1-10(17-14(19)12-5-3-7-20-12)13(18)16-9-11-4-2-6-15-8-11/h2-8,10H,9H2,1H3,(H,16,18)(H,17,19)/t10-/m0/s1
InChIKeyLRMZTZZQXOKLAN-JTQLQIEISA-N
MW289.36 g/mol
LogP1.58
Rot. Bonds5

About N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide

N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide (PubChem CID 35973505) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide
PubChem CID35973505
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide
SMILESC[C@H](NC(=O)c1cccs1)C(=O)NCc1cccnc1
InChIInChI=1S/C14H15N3O2S/c1-10(17-14(19)12-5-3-7-20-12)13(18)16-9-11-4-2-6-15-8-11/h2-8,10H,9H2,1H3,(H,16,18)(H,17,19)/t10-/m0/s1
InChIKeyLRMZTZZQXOKLAN-JTQLQIEISA-N
XLogP1.58
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46682489
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CID 30889612
N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide
CID 51305133
N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51298987
(2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 110347921
N-[(2R)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]quinoline-2-carboxamide
CID 175062008
N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 42889829
N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
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(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
N-[1-[[3-(2-fluorophenoxy)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 154850530
(2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347875
N-[1-oxo-1-[[3-(pyrrolidine-1-carbonyl)phenyl]methylamino]propan-2-yl]thiophene-2-carboxamide
CID 46477196

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide (CID 35973505) is N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide is C[C@H](NC(=O)c1cccs1)C(=O)NCc1cccnc1.
What is the InChIKey of N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide?
The InChIKey is LRMZTZZQXOKLAN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-10(17-14(19)12-5-3-7-20-12)13(18)16-9-11-4-2-6-15-8-11/h2-8,10H,9H2,1H3,(H,16,18)(H,17,19)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide?
N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 35973505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).