N-cyclopropyl-3-(3-methyl-8-methylphosphanyl-9H-pyrido[2,3-b]indol-5-yl)benzamide

C23H22N3OP — CID 143443101

IUPACN-cyclopropyl-3-(3-methyl-8-methylphosphanyl-9H-pyrido[2,3-b]indol-5-yl)benzamide
SMILESCPc1ccc(-c2cccc(C(=O)NC3CC3)c2)c2c1[nH]c1ncc(C)cc12
InChIInChI=1S/C23H22N3OP/c1-13-10-18-20-17(8-9-19(28-2)21(20)26-22(18)24-12-13)14-4-3-5-15(11-14)23(27)25-16-6-7-16/h3-5,8-12,16,28H,6-7H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyOQIHOOCKYUVVLP-UHFFFAOYSA-N
MW387.42 g/mol
LogP4.52
Rot. Bonds4

About N-cyclopropyl-3-(3-methyl-8-methylphosphanyl-9H-pyrido[2,3-b]indol-5-yl)benzamide

N-cyclopropyl-3-(3-methyl-8-methylphosphanyl-9H-pyrido[2,3-b]indol-5-yl)benzamide (PubChem CID 143443101) has the molecular formula C23H22N3OP and a molecular weight of 387.42 g/mol. Its IUPAC name is N-cyclopropyl-3-(3-methyl-8-methylphosphanyl-9H-pyrido[2,3-b]indol-5-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(3-methyl-8-methylphosphanyl-9H-pyrido[2,3-b]indol-5-yl)benzamide
PubChem CID143443101
Molecular FormulaC23H22N3OP
Molecular Weight387.42 g/mol
Exact Mass387.15
IUPAC NameN-cyclopropyl-3-(3-methyl-8-methylphosphanyl-9H-pyrido[2,3-b]indol-5-yl)benzamide
SMILESCPc1ccc(-c2cccc(C(=O)NC3CC3)c2)c2c1[nH]c1ncc(C)cc12
InChIInChI=1S/C23H22N3OP/c1-13-10-18-20-17(8-9-19(28-2)21(20)26-22(18)24-12-13)14-4-3-5-15(11-14)23(27)25-16-6-7-16/h3-5,8-12,16,28H,6-7H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyOQIHOOCKYUVVLP-UHFFFAOYSA-N
XLogP4.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,8-dimethyl-9H-pyrido[2,3-b]indol-5-yl)-N,N-diethylbenzamide
CID 143880553
[4-[3-[[5-[3-(cyclopropylcarbamoyl)phenyl]-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl-ethylamino]-2,2,5,5-tetramethylhexan-3-yl] dihydrogen phosphate
CID 67284146
5-(3-ethylsulfonylphenyl)-N-[4-(hydroxymethyl)cyclohexyl]-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxamide
CID 25018283
6-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 53224277
N-cyclopropyl-3-(2-oxo-1H-pyridin-3-yl)benzamide
CID 53218141
5-(3-cyclopropylsulfonylphenyl)-3-methyl-8-propoxy-9H-pyrido[2,3-b]indole
CID 173115576
8-butoxy-5-(3-cyclopropylsulfinylphenyl)-3-methyl-9H-pyrido[2,3-b]indole;ethane
CID 143880504
N-cyclooctyl-3-methylbenzamide
CID 966011
5-(3-ethylsulfonylphenyl)-3-fluoro-8-methyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide
CID 70845232
1-[2-[[5-(3-hydroxyphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]ethyl]piperidin-4-ol;methoxycyclopropane
CID 143666336
N-(4-bromocyclohexyl)-3-methylbenzamide
CID 114309120
N-cyclopropyl-3-(4-oxo-1H-pyridin-2-yl)benzamide
CID 53229603

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(3-methyl-8-methylphosphanyl-9H-pyrido[2,3-b]indol-5-yl)benzamide?
The IUPAC name of N-cyclopropyl-3-(3-methyl-8-methylphosphanyl-9H-pyrido[2,3-b]indol-5-yl)benzamide (CID 143443101) is N-cyclopropyl-3-(3-methyl-8-methylphosphanyl-9H-pyrido[2,3-b]indol-5-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-3-(3-methyl-8-methylphosphanyl-9H-pyrido[2,3-b]indol-5-yl)benzamide?
The canonical SMILES for N-cyclopropyl-3-(3-methyl-8-methylphosphanyl-9H-pyrido[2,3-b]indol-5-yl)benzamide is CPc1ccc(-c2cccc(C(=O)NC3CC3)c2)c2c1[nH]c1ncc(C)cc12.
What is the InChIKey of N-cyclopropyl-3-(3-methyl-8-methylphosphanyl-9H-pyrido[2,3-b]indol-5-yl)benzamide?
The InChIKey is OQIHOOCKYUVVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N3OP/c1-13-10-18-20-17(8-9-19(28-2)21(20)26-22(18)24-12-13)14-4-3-5-15(11-14)23(27)25-16-6-7-16/h3-5,8-12,16,28H,6-7H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-cyclopropyl-3-(3-methyl-8-methylphosphanyl-9H-pyrido[2,3-b]indol-5-yl)benzamide?
N-cyclopropyl-3-(3-methyl-8-methylphosphanyl-9H-pyrido[2,3-b]indol-5-yl)benzamide has a molecular weight of 387.42 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(3-methyl-8-methylphosphanyl-9H-pyrido[2,3-b]indol-5-yl)benzamide is sourced from PubChem (CID 143443101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).