1-[(4-methoxyanilino)carbamoyl]-9H-pyrido[3,4-b]indole-3-carboxamide

C20H17N5O3 — CID 175438375

IUPAC1-[(4-methoxyanilino)carbamoyl]-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCOc1ccc(NNC(=O)c2nc(C(N)=O)cc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C20H17N5O3/c1-28-12-8-6-11(7-9-12)24-25-20(27)18-17-14(10-16(23-18)19(21)26)13-4-2-3-5-15(13)22-17/h2-10,22,24H,1H3,(H2,21,26)(H,25,27)
InChIKeyWWLMOVLQCRFHPY-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.58
Rot. Bonds5

About 1-[(4-methoxyanilino)carbamoyl]-9H-pyrido[3,4-b]indole-3-carboxamide

1-[(4-methoxyanilino)carbamoyl]-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 175438375) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 1-[(4-methoxyanilino)carbamoyl]-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxyanilino)carbamoyl]-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID175438375
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name1-[(4-methoxyanilino)carbamoyl]-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCOc1ccc(NNC(=O)c2nc(C(N)=O)cc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C20H17N5O3/c1-28-12-8-6-11(7-9-12)24-25-20(27)18-17-14(10-16(23-18)19(21)26)13-4-2-3-5-15(13)22-17/h2-10,22,24H,1H3,(H2,21,26)(H,25,27)
InChIKeyWWLMOVLQCRFHPY-UHFFFAOYSA-N
XLogP2.58
TPSA122.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(trifluoromethoxy)anilino]carbamoyl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 175438296
1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 71528865
1-O-ethyl 3-O-methyl 9H-pyrido[3,4-b]indole-1,3-dicarboxylate
CID 102040877
1-(4-methoxyphenyl)-N-(propan-2-ylideneamino)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 57392198
methyl 1-(diethylcarbamoyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 146382280
N-(2-aminoethyl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;ethane-1,2-diamine;1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]ethanone
CID 158330800
N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 6217429
N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 6217109
benzyl (2S)-2-[(1-acetyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]-3-methylbutanoate
CID 141467656
1-thiophen-3-yl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 10541746
3-(piperazine-1-carbonyl)-9H-pyrido[3,4-b]indole-1-carboxamide
CID 146382207
methyl 1-[(1S)-1,2-dihydroxyethyl]-9H-pyrido[3,4-b]indole-3-carboxylate
CID 11231491

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyanilino)carbamoyl]-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of 1-[(4-methoxyanilino)carbamoyl]-9H-pyrido[3,4-b]indole-3-carboxamide (CID 175438375) is 1-[(4-methoxyanilino)carbamoyl]-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for 1-[(4-methoxyanilino)carbamoyl]-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for 1-[(4-methoxyanilino)carbamoyl]-9H-pyrido[3,4-b]indole-3-carboxamide is COc1ccc(NNC(=O)c2nc(C(N)=O)cc3c2[nH]c2ccccc23)cc1.
What is the InChIKey of 1-[(4-methoxyanilino)carbamoyl]-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is WWLMOVLQCRFHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-28-12-8-6-11(7-9-12)24-25-20(27)18-17-14(10-16(23-18)19(21)26)13-4-2-3-5-15(13)22-17/h2-10,22,24H,1H3,(H2,21,26)(H,25,27).
What are the key properties of 1-[(4-methoxyanilino)carbamoyl]-9H-pyrido[3,4-b]indole-3-carboxamide?
1-[(4-methoxyanilino)carbamoyl]-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyanilino)carbamoyl]-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 175438375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).