1-methyl-4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-N-phenylpyrrole-2-carboxamide

C24H19N5O2 — CID 58168022

IUPAC1-methyl-4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-N-phenylpyrrole-2-carboxamide
SMILESCn1cc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C24H19N5O2/c1-29-14-16(13-20(29)24(31)27-15-7-3-2-4-8-15)26-19-11-12-25-22-21(19)17-9-5-6-10-18(17)23(30)28-22/h2-14H,1H3,(H,27,31)(H2,25,26,28,30)
InChIKeyCTDIVXKAZXWPIG-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.41
Rot. Bonds4

About 1-methyl-4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-N-phenylpyrrole-2-carboxamide

1-methyl-4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-N-phenylpyrrole-2-carboxamide (PubChem CID 58168022) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 1-methyl-4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-N-phenylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-N-phenylpyrrole-2-carboxamide
PubChem CID58168022
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name1-methyl-4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-N-phenylpyrrole-2-carboxamide
SMILESCn1cc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1C(=O)Nc1ccccc1
InChIInChI=1S/C24H19N5O2/c1-29-14-16(13-20(29)24(31)27-15-7-3-2-4-8-15)26-19-11-12-25-22-21(19)17-9-5-6-10-18(17)23(30)28-22/h2-14H,1H3,(H,27,31)(H2,25,26,28,30)
InChIKeyCTDIVXKAZXWPIG-UHFFFAOYSA-N
XLogP4.41
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-5-phenyl-3-propyl-
CID 3071969
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-(2-methylpropyl)-5-phenyl-
CID 3071971
1H-indol-2-yl-[4-[[3-(isopropylamino)-2-pyridyl]-methyl-amino]-1-piperidyl]methanone
CID 462952
2-ethyl-9-methyl-13-(2-phenylethyl)-5-(1H-pyrrol-2-yl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470743

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-N-phenylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-N-phenylpyrrole-2-carboxamide (CID 58168022) is 1-methyl-4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-N-phenylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-N-phenylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-N-phenylpyrrole-2-carboxamide is Cn1cc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1C(=O)Nc1ccccc1.
What is the InChIKey of 1-methyl-4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-N-phenylpyrrole-2-carboxamide?
The InChIKey is CTDIVXKAZXWPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-29-14-16(13-20(29)24(31)27-15-7-3-2-4-8-15)26-19-11-12-25-22-21(19)17-9-5-6-10-18(17)23(30)28-22/h2-14H,1H3,(H,27,31)(H2,25,26,28,30).
What are the key properties of 1-methyl-4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-N-phenylpyrrole-2-carboxamide?
1-methyl-4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-N-phenylpyrrole-2-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 4.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-N-phenylpyrrole-2-carboxamide is sourced from PubChem (CID 58168022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).