N-[(2S)-1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-1-oxopropan-2-yl]furan-2-carboxamide

C16H19N3O4 — CID 31642872

IUPACN-[(2S)-1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCc1cc(C)c(CNC(=O)[C@H](C)NC(=O)c2ccco2)c(=O)[nH]1
InChIInChI=1S/C16H19N3O4/c1-9-7-10(2)18-15(21)12(9)8-17-14(20)11(3)19-16(22)13-5-4-6-23-13/h4-7,11H,8H2,1-3H3,(H,17,20)(H,18,21)(H,19,22)/t11-/m0/s1
InChIKeyXTHMOBCEWIEUQY-NSHDSACASA-N
MW317.35 g/mol
LogP1.02
Rot. Bonds5

About N-[(2S)-1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-1-oxopropan-2-yl]furan-2-carboxamide

N-[(2S)-1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 31642872) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[(2S)-1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID31642872
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-[(2S)-1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCc1cc(C)c(CNC(=O)[C@H](C)NC(=O)c2ccco2)c(=O)[nH]1
InChIInChI=1S/C16H19N3O4/c1-9-7-10(2)18-15(21)12(9)8-17-14(20)11(3)19-16(22)13-5-4-6-23-13/h4-7,11H,8H2,1-3H3,(H,17,20)(H,18,21)(H,19,22)/t11-/m0/s1
InChIKeyXTHMOBCEWIEUQY-NSHDSACASA-N
XLogP1.02
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-1-oxopropan-2-yl]furan-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[1-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47112949
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119384374
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 113218177
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119384373
N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119407621
4-[2-(furan-2-carbonylamino)propanoylamino]-2-methylbutanoic acid
CID 80537997
2-(2,6-dichlorophenyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 17405202
N-[1-(3,3-diphenylpropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24665013
N-[1-[(5-methyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47289682
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
N-[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]propan-2-yl]furan-2-carboxamide
CID 34747152
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119528888

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-1-oxopropan-2-yl]furan-2-carboxamide (CID 31642872) is N-[(2S)-1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-1-oxopropan-2-yl]furan-2-carboxamide is Cc1cc(C)c(CNC(=O)[C@H](C)NC(=O)c2ccco2)c(=O)[nH]1.
What is the InChIKey of N-[(2S)-1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is XTHMOBCEWIEUQY-NSHDSACASA-N. The full InChI is InChI=1S/C16H19N3O4/c1-9-7-10(2)18-15(21)12(9)8-17-14(20)11(3)19-16(22)13-5-4-6-23-13/h4-7,11H,8H2,1-3H3,(H,17,20)(H,18,21)(H,19,22)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[(2S)-1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 31642872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).