N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide

C29H25N7O — CID 108747417

IUPACN-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
SMILESCCN1CCc2nc3ccccc3c(C(=O)Nc3c(C#N)cnn3-c3cc(C)c4ccccc4n3)c2C1
InChIInChI=1S/C29H25N7O/c1-3-35-13-12-25-22(17-35)27(21-9-5-7-11-24(21)32-25)29(37)34-28-19(15-30)16-31-36(28)26-14-18(2)20-8-4-6-10-23(20)33-26/h4-11,14,16H,3,12-13,17H2,1-2H3,(H,34,37)
InChIKeyUQRCBYJSKTYMBL-UHFFFAOYSA-N
MW487.57 g/mol
LogP4.78
Rot. Bonds4

About N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide

N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide (PubChem CID 108747417) has the molecular formula C29H25N7O and a molecular weight of 487.57 g/mol. Its IUPAC name is N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
PubChem CID108747417
Molecular FormulaC29H25N7O
Molecular Weight487.57 g/mol
Exact Mass487.21
IUPAC NameN-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
SMILESCCN1CCc2nc3ccccc3c(C(=O)Nc3c(C#N)cnn3-c3cc(C)c4ccccc4n3)c2C1
InChIInChI=1S/C29H25N7O/c1-3-35-13-12-25-22(17-35)27(21-9-5-7-11-24(21)32-25)29(37)34-28-19(15-30)16-31-36(28)26-14-18(2)20-8-4-6-10-23(20)33-26/h4-11,14,16H,3,12-13,17H2,1-2H3,(H,34,37)
InChIKeyUQRCBYJSKTYMBL-UHFFFAOYSA-N
XLogP4.78
TPSA99.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.57
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-cyanophenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792712
(2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108742651
N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 108769497
N-(4,5-dimethoxy-2-methylphenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 26209459
2-tert-butyl-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-1,3-dioxoisoindole-5-carboxamide
CID 108769496
N-(2,6-difluorophenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792780
N-(4-chloro-2-pyridinyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108792777
2-(4-bromophenyl)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]acetamide
CID 108747436
2-ethyl-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804826
2-ethyl-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804890
N-(3,4-dimethoxyphenyl)-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 108804845
2-ethyl-N-[1-(2-methylphenyl)ethyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 18083356

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The IUPAC name of N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide (CID 108747417) is N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide.
What is the SMILES notation for N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The canonical SMILES for N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide is CCN1CCc2nc3ccccc3c(C(=O)Nc3c(C#N)cnn3-c3cc(C)c4ccccc4n3)c2C1.
What is the InChIKey of N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
The InChIKey is UQRCBYJSKTYMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N7O/c1-3-35-13-12-25-22(17-35)27(21-9-5-7-11-24(21)32-25)29(37)34-28-19(15-30)16-31-36(28)26-14-18(2)20-8-4-6-10-23(20)33-26/h4-11,14,16H,3,12-13,17H2,1-2H3,(H,34,37).
What are the key properties of N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide?
N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide has a molecular weight of 487.57 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide is sourced from PubChem (CID 108747417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).