N-[1-oxo-1-[(2-oxochromen-6-yl)amino]propan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide

C24H18N4O4 — CID 4839577

IUPACN-[1-oxo-1-[(2-oxochromen-6-yl)amino]propan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCC(NC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(=O)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C24H18N4O4/c1-13(23(30)27-15-7-8-21-14(10-15)6-9-22(29)32-21)26-24(31)19-11-17-16-4-2-3-5-18(16)28-20(17)12-25-19/h2-13,28H,1H3,(H,26,31)(H,27,30)
InChIKeyASBUXDUDEHTXRX-UHFFFAOYSA-N
MW426.43 g/mol
LogP3.58
Rot. Bonds4

About N-[1-oxo-1-[(2-oxochromen-6-yl)amino]propan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide

N-[1-oxo-1-[(2-oxochromen-6-yl)amino]propan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 4839577) has the molecular formula C24H18N4O4 and a molecular weight of 426.43 g/mol. Its IUPAC name is N-[1-oxo-1-[(2-oxochromen-6-yl)amino]propan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-[(2-oxochromen-6-yl)amino]propan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID4839577
Molecular FormulaC24H18N4O4
Molecular Weight426.43 g/mol
Exact Mass426.13
IUPAC NameN-[1-oxo-1-[(2-oxochromen-6-yl)amino]propan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCC(NC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(=O)Nc1ccc2oc(=O)ccc2c1
InChIInChI=1S/C24H18N4O4/c1-13(23(30)27-15-7-8-21-14(10-15)6-9-22(29)32-21)26-24(31)19-11-17-16-4-2-3-5-18(16)28-20(17)12-25-19/h2-13,28H,1H3,(H,26,31)(H,27,30)
InChIKeyASBUXDUDEHTXRX-UHFFFAOYSA-N
XLogP3.58
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-oxo-1-[(2-oxochromen-6-yl)amino]propan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide with MolForge

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Related Compounds

N-[1-oxo-1-(3,4,5-trimethoxyanilino)propan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 4839218
(2S)-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)propanoate
CID 8015997
3-methyl-2-[2-(9H-pyrido[3,4-b]indole-3-carbonylamino)propanoylamino]butanoic acid
CID 4839071
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 4964733
N-[1-(2,1,3-benzoxadiazol-4-ylamino)-1-oxopropan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 4964731
N-[1-(3,4-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 4868674
3-bromo-N-(2-oxochromen-6-yl)-1H-indole-2-carboxamide
CID 55978070
methyl 4-methyl-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)pentanoate
CID 78302283
2-methyl-N-(2-oxochromen-6-yl)butanamide
CID 47294321
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)acetamide
CID 42506993
N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 6217429
N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 4838770

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[(2-oxochromen-6-yl)amino]propan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of N-[1-oxo-1-[(2-oxochromen-6-yl)amino]propan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide (CID 4839577) is N-[1-oxo-1-[(2-oxochromen-6-yl)amino]propan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for N-[1-oxo-1-[(2-oxochromen-6-yl)amino]propan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for N-[1-oxo-1-[(2-oxochromen-6-yl)amino]propan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide is CC(NC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(=O)Nc1ccc2oc(=O)ccc2c1.
What is the InChIKey of N-[1-oxo-1-[(2-oxochromen-6-yl)amino]propan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is ASBUXDUDEHTXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O4/c1-13(23(30)27-15-7-8-21-14(10-15)6-9-22(29)32-21)26-24(31)19-11-17-16-4-2-3-5-18(16)28-20(17)12-25-19/h2-13,28H,1H3,(H,26,31)(H,27,30).
What are the key properties of N-[1-oxo-1-[(2-oxochromen-6-yl)amino]propan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide?
N-[1-oxo-1-[(2-oxochromen-6-yl)amino]propan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 426.43 g/mol, XLogP of 3.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[(2-oxochromen-6-yl)amino]propan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 4839577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).