7-hydroxy-N-[(3S)-3-(methylamino)-4-oxopentyl]-2-oxochromene-3-carboxamide

C16H18N2O5 — CID 146244908

IUPAC7-hydroxy-N-[(3S)-3-(methylamino)-4-oxopentyl]-2-oxochromene-3-carboxamide
SMILESCN[C@@H](CCNC(=O)c1cc2ccc(O)cc2oc1=O)C(C)=O
InChIInChI=1S/C16H18N2O5/c1-9(19)13(17-2)5-6-18-15(21)12-7-10-3-4-11(20)8-14(10)23-16(12)22/h3-4,7-8,13,17,20H,5-6H2,1-2H3,(H,18,21)/t13-/m0/s1
InChIKeyVABPNHYSZMDBBP-ZDUSSCGKSA-N
MW318.33 g/mol
LogP0.80
Rot. Bonds6

About 7-hydroxy-N-[(3S)-3-(methylamino)-4-oxopentyl]-2-oxochromene-3-carboxamide

7-hydroxy-N-[(3S)-3-(methylamino)-4-oxopentyl]-2-oxochromene-3-carboxamide (PubChem CID 146244908) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 7-hydroxy-N-[(3S)-3-(methylamino)-4-oxopentyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name7-hydroxy-N-[(3S)-3-(methylamino)-4-oxopentyl]-2-oxochromene-3-carboxamide
PubChem CID146244908
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name7-hydroxy-N-[(3S)-3-(methylamino)-4-oxopentyl]-2-oxochromene-3-carboxamide
SMILESCN[C@@H](CCNC(=O)c1cc2ccc(O)cc2oc1=O)C(C)=O
InChIInChI=1S/C16H18N2O5/c1-9(19)13(17-2)5-6-18-15(21)12-7-10-3-4-11(20)8-14(10)23-16(12)22/h3-4,7-8,13,17,20H,5-6H2,1-2H3,(H,18,21)/t13-/m0/s1
InChIKeyVABPNHYSZMDBBP-ZDUSSCGKSA-N
XLogP0.80
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-acetyl-7-hydroxychromen-2-one;7-hydroxy-N-[(2S)-2-(methylamino)-3-oxobutyl]-2-oxochromene-3-carboxamide
CID 161031650
7-(diethylamino)-N-[5-(methylamino)-6-oxoheptyl]-2-oxochromene-3-carboxamide
CID 58473750
N-(2-aminobut-3-enyl)-7-hydroxy-2-oxochromene-3-carboxamide
CID 145271180
7-hydroxy-N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide
CID 23730518
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-7-hydroxy-2-oxochromene-3-carboxamide
CID 135121493
7-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one
CID 135576755
7-hydroxy-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 5413280
3-(2-bromoacetyl)-7-hydroxychromen-2-one
CID 6157272
7-hydroxy-2-oxo-N-[1-[(2,3,4,5,6-pentafluorobenzoyl)amino]ethyl]chromene-3-carboxamide
CID 19074029
N-[3-[[(2S)-1-[2-(aminomethyl)pyrimidin-4-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-7-hydroxy-2-oxochromene-3-carboxamide
CID 141465061
N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-oxochromene-3-carboxamide
CID 97042914
7-hydroxy-N-[4-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide
CID 135891381

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-[(3S)-3-(methylamino)-4-oxopentyl]-2-oxochromene-3-carboxamide?
The IUPAC name of 7-hydroxy-N-[(3S)-3-(methylamino)-4-oxopentyl]-2-oxochromene-3-carboxamide (CID 146244908) is 7-hydroxy-N-[(3S)-3-(methylamino)-4-oxopentyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for 7-hydroxy-N-[(3S)-3-(methylamino)-4-oxopentyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for 7-hydroxy-N-[(3S)-3-(methylamino)-4-oxopentyl]-2-oxochromene-3-carboxamide is CN[C@@H](CCNC(=O)c1cc2ccc(O)cc2oc1=O)C(C)=O.
What is the InChIKey of 7-hydroxy-N-[(3S)-3-(methylamino)-4-oxopentyl]-2-oxochromene-3-carboxamide?
The InChIKey is VABPNHYSZMDBBP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-9(19)13(17-2)5-6-18-15(21)12-7-10-3-4-11(20)8-14(10)23-16(12)22/h3-4,7-8,13,17,20H,5-6H2,1-2H3,(H,18,21)/t13-/m0/s1.
What are the key properties of 7-hydroxy-N-[(3S)-3-(methylamino)-4-oxopentyl]-2-oxochromene-3-carboxamide?
7-hydroxy-N-[(3S)-3-(methylamino)-4-oxopentyl]-2-oxochromene-3-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-[(3S)-3-(methylamino)-4-oxopentyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 146244908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).