methyl 1-(cyclopropanecarbonylamino)-9H-pyrido[3,4-b]indole-7-carboxylate

C17H15N3O3 — CID 163408833

IUPACmethyl 1-(cyclopropanecarbonylamino)-9H-pyrido[3,4-b]indole-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12
InChIInChI=1S/C17H15N3O3/c1-23-17(22)10-4-5-11-12-6-7-18-15(14(12)19-13(11)8-10)20-16(21)9-2-3-9/h4-9,19H,2-3H2,1H3,(H,18,20,21)
InChIKeyACRYPFBNYMEDTL-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.85
Rot. Bonds3

About methyl 1-(cyclopropanecarbonylamino)-9H-pyrido[3,4-b]indole-7-carboxylate

methyl 1-(cyclopropanecarbonylamino)-9H-pyrido[3,4-b]indole-7-carboxylate (PubChem CID 163408833) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is methyl 1-(cyclopropanecarbonylamino)-9H-pyrido[3,4-b]indole-7-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclopropanecarbonylamino)-9H-pyrido[3,4-b]indole-7-carboxylate
PubChem CID163408833
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Namemethyl 1-(cyclopropanecarbonylamino)-9H-pyrido[3,4-b]indole-7-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12
InChIInChI=1S/C17H15N3O3/c1-23-17(22)10-4-5-11-12-6-7-18-15(14(12)19-13(11)8-10)20-16(21)9-2-3-9/h4-9,19H,2-3H2,1H3,(H,18,20,21)
InChIKeyACRYPFBNYMEDTL-UHFFFAOYSA-N
XLogP2.85
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-oxo-6H-pyrazino[2,3-c]quinoline-8-carboxylate
CID 50942143
methyl 9H-carbazole-2-carboxylate;1-methylpyrrolidine
CID 143732942
methyl 4-(piperidine-4-carbonylamino)benzoate
CID 61258374
methyl 4-oxo-3,5-dihydro-1H-furo[3,4-c]quinoline-7-carboxylate
CID 171572815
3,5-dichloro-4-[7-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-c]pyridine-3-carbonyl]-N-(2-methoxyethyl)benzamide
CID 86720638
methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109150498
methyl 1-bromoisoquinoline-6-carboxylate
CID 82571453
dimethyl quinoline-4,7-dicarboxylate
CID 100951662
methyl 2-[3-(azetidin-1-yl)-2-cyanophenyl]-7-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
CID 146635236
4-[(4-methoxycarbonyl-2-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122089442
N-(3-tert-butyl-2-pyridinyl)cyclopropanecarboxamide
CID 89458374
methyl 4-[[4-[(3-fluorophenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109151109

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclopropanecarbonylamino)-9H-pyrido[3,4-b]indole-7-carboxylate?
The IUPAC name of methyl 1-(cyclopropanecarbonylamino)-9H-pyrido[3,4-b]indole-7-carboxylate (CID 163408833) is methyl 1-(cyclopropanecarbonylamino)-9H-pyrido[3,4-b]indole-7-carboxylate.
What is the SMILES notation for methyl 1-(cyclopropanecarbonylamino)-9H-pyrido[3,4-b]indole-7-carboxylate?
The canonical SMILES for methyl 1-(cyclopropanecarbonylamino)-9H-pyrido[3,4-b]indole-7-carboxylate is COC(=O)c1ccc2c(c1)[nH]c1c(NC(=O)C3CC3)nccc12.
What is the InChIKey of methyl 1-(cyclopropanecarbonylamino)-9H-pyrido[3,4-b]indole-7-carboxylate?
The InChIKey is ACRYPFBNYMEDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-23-17(22)10-4-5-11-12-6-7-18-15(14(12)19-13(11)8-10)20-16(21)9-2-3-9/h4-9,19H,2-3H2,1H3,(H,18,20,21).
What are the key properties of methyl 1-(cyclopropanecarbonylamino)-9H-pyrido[3,4-b]indole-7-carboxylate?
methyl 1-(cyclopropanecarbonylamino)-9H-pyrido[3,4-b]indole-7-carboxylate has a molecular weight of 309.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclopropanecarbonylamino)-9H-pyrido[3,4-b]indole-7-carboxylate is sourced from PubChem (CID 163408833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).