N-(6-cyano-3-pyridinyl)-3-ethyl-6-(5-phenoxy-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide

C29H23N5O2 — CID 123874819

IUPACN-(6-cyano-3-pyridinyl)-3-ethyl-6-(5-phenoxy-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide
SMILESCCC1=C(C(=O)Nc2ccc(C#N)nc2)c2cc(-c3cncc(Oc4ccccc4)c3)ccc2NC1
InChIInChI=1S/C29H23N5O2/c1-2-19-16-33-27-11-8-20(21-12-25(18-31-15-21)36-24-6-4-3-5-7-24)13-26(27)28(19)29(35)34-23-10-9-22(14-30)32-17-23/h3-13,15,17-18,33H,2,16H2,1H3,(H,34,35)
InChIKeyYGXOYLKGEJBXCL-UHFFFAOYSA-N
MW473.54 g/mol
LogP6.04
Rot. Bonds6

About N-(6-cyano-3-pyridinyl)-3-ethyl-6-(5-phenoxy-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide

N-(6-cyano-3-pyridinyl)-3-ethyl-6-(5-phenoxy-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide (PubChem CID 123874819) has the molecular formula C29H23N5O2 and a molecular weight of 473.54 g/mol. Its IUPAC name is N-(6-cyano-3-pyridinyl)-3-ethyl-6-(5-phenoxy-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(6-cyano-3-pyridinyl)-3-ethyl-6-(5-phenoxy-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide
PubChem CID123874819
Molecular FormulaC29H23N5O2
Molecular Weight473.54 g/mol
Exact Mass473.19
IUPAC NameN-(6-cyano-3-pyridinyl)-3-ethyl-6-(5-phenoxy-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide
SMILESCCC1=C(C(=O)Nc2ccc(C#N)nc2)c2cc(-c3cncc(Oc4ccccc4)c3)ccc2NC1
InChIInChI=1S/C29H23N5O2/c1-2-19-16-33-27-11-8-20(21-12-25(18-31-15-21)36-24-6-4-3-5-7-24)13-26(27)28(19)29(35)34-23-10-9-22(14-30)32-17-23/h3-13,15,17-18,33H,2,16H2,1H3,(H,34,35)
InChIKeyYGXOYLKGEJBXCL-UHFFFAOYSA-N
XLogP6.04
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.54
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[5-(cyclopropylmethylamino)-3-pyridinyl]-3-ethyl-N-[6-[methyl-[2-(methylamino)ethyl]amino]-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide
CID 123310055
6-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-ethyl-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide
CID 123930151
3-ethyl-6-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide
CID 123750176
5-(5-phenoxy-3-pyridinyl)-N-(6-phenyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450561
N-[6-(dimethylamino)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450552
N-(6-cyano-3-pyridinyl)-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450447
6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-methyl-N-(6-phenyl-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide
CID 142333845
N-(6-cyano-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethane
CID 144555192
5-[1-[5-(5-benzyl-3-pyridinyl)-1H-indazol-3-yl]ethenylamino]pyridine-2-carbonitrile
CID 142333708
N-(6-cyano-3-pyridinyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450886
2-[2-(methylamino)-5-(5-phenoxy-3-pyridinyl)phenyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]prop-2-enamide
CID 166774329
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 159944208

Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-3-pyridinyl)-3-ethyl-6-(5-phenoxy-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide?
The IUPAC name of N-(6-cyano-3-pyridinyl)-3-ethyl-6-(5-phenoxy-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide (CID 123874819) is N-(6-cyano-3-pyridinyl)-3-ethyl-6-(5-phenoxy-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide.
What is the SMILES notation for N-(6-cyano-3-pyridinyl)-3-ethyl-6-(5-phenoxy-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide?
The canonical SMILES for N-(6-cyano-3-pyridinyl)-3-ethyl-6-(5-phenoxy-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide is CCC1=C(C(=O)Nc2ccc(C#N)nc2)c2cc(-c3cncc(Oc4ccccc4)c3)ccc2NC1.
What is the InChIKey of N-(6-cyano-3-pyridinyl)-3-ethyl-6-(5-phenoxy-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide?
The InChIKey is YGXOYLKGEJBXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N5O2/c1-2-19-16-33-27-11-8-20(21-12-25(18-31-15-21)36-24-6-4-3-5-7-24)13-26(27)28(19)29(35)34-23-10-9-22(14-30)32-17-23/h3-13,15,17-18,33H,2,16H2,1H3,(H,34,35).
What are the key properties of N-(6-cyano-3-pyridinyl)-3-ethyl-6-(5-phenoxy-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide?
N-(6-cyano-3-pyridinyl)-3-ethyl-6-(5-phenoxy-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide has a molecular weight of 473.54 g/mol, XLogP of 6.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-3-pyridinyl)-3-ethyl-6-(5-phenoxy-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide is sourced from PubChem (CID 123874819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).