3-ethyl-6-(5-piperidin-1-yl-3-pyridinyl)-N-pyridin-4-yl-1,2-dihydroquinoline-4-carboxamide

C27H29N5O — CID 123997935

IUPAC3-ethyl-6-(5-piperidin-1-yl-3-pyridinyl)-N-pyridin-4-yl-1,2-dihydroquinoline-4-carboxamide
SMILESCCC1=C(C(=O)Nc2ccncc2)c2cc(-c3cncc(N4CCCCC4)c3)ccc2NC1
InChIInChI=1S/C27H29N5O/c1-2-19-17-30-25-7-6-20(21-14-23(18-29-16-21)32-12-4-3-5-13-32)15-24(25)26(19)27(33)31-22-8-10-28-11-9-22/h6-11,14-16,18,30H,2-5,12-13,17H2,1H3,(H,28,31,33)
InChIKeyRDZICCYTGMUATL-UHFFFAOYSA-N
MW439.56 g/mol
LogP5.36
Rot. Bonds5

About 3-ethyl-6-(5-piperidin-1-yl-3-pyridinyl)-N-pyridin-4-yl-1,2-dihydroquinoline-4-carboxamide

3-ethyl-6-(5-piperidin-1-yl-3-pyridinyl)-N-pyridin-4-yl-1,2-dihydroquinoline-4-carboxamide (PubChem CID 123997935) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is 3-ethyl-6-(5-piperidin-1-yl-3-pyridinyl)-N-pyridin-4-yl-1,2-dihydroquinoline-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-6-(5-piperidin-1-yl-3-pyridinyl)-N-pyridin-4-yl-1,2-dihydroquinoline-4-carboxamide
PubChem CID123997935
Molecular FormulaC27H29N5O
Molecular Weight439.56 g/mol
Exact Mass439.24
IUPAC Name3-ethyl-6-(5-piperidin-1-yl-3-pyridinyl)-N-pyridin-4-yl-1,2-dihydroquinoline-4-carboxamide
SMILESCCC1=C(C(=O)Nc2ccncc2)c2cc(-c3cncc(N4CCCCC4)c3)ccc2NC1
InChIInChI=1S/C27H29N5O/c1-2-19-17-30-25-7-6-20(21-14-23(18-29-16-21)32-12-4-3-5-13-32)15-24(25)26(19)27(33)31-22-8-10-28-11-9-22/h6-11,14-16,18,30H,2-5,12-13,17H2,1H3,(H,28,31,33)
InChIKeyRDZICCYTGMUATL-UHFFFAOYSA-N
XLogP5.36
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-6-(5-piperidin-1-yl-3-pyridinyl)-N-pyridin-4-yl-1,2-dihydroquinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-ethyl-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide
CID 123930151
3-amino-N-cyclohexyl-6-(5-pyrrolidin-1-yl-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide
CID 144929005
6-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-ethyl-N-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide
CID 123154269
3-ethyl-6-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide
CID 123750176
N-(6-cyano-3-pyridinyl)-3-ethyl-6-(5-phenoxy-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide
CID 123874819
6-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide
CID 142333773
N-(6-cyano-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethane
CID 144555192
6-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-piperidin-1-yl-4-pyridinyl)-1,2-dihydroquinoline-4-carboxamide
CID 144929257
N-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrimidin-5-yl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 160522728
N-[6-(azetidin-1-yl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450857
N-(6-oxo-1H-pyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450891
N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450370

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(5-piperidin-1-yl-3-pyridinyl)-N-pyridin-4-yl-1,2-dihydroquinoline-4-carboxamide?
The IUPAC name of 3-ethyl-6-(5-piperidin-1-yl-3-pyridinyl)-N-pyridin-4-yl-1,2-dihydroquinoline-4-carboxamide (CID 123997935) is 3-ethyl-6-(5-piperidin-1-yl-3-pyridinyl)-N-pyridin-4-yl-1,2-dihydroquinoline-4-carboxamide.
What is the SMILES notation for 3-ethyl-6-(5-piperidin-1-yl-3-pyridinyl)-N-pyridin-4-yl-1,2-dihydroquinoline-4-carboxamide?
The canonical SMILES for 3-ethyl-6-(5-piperidin-1-yl-3-pyridinyl)-N-pyridin-4-yl-1,2-dihydroquinoline-4-carboxamide is CCC1=C(C(=O)Nc2ccncc2)c2cc(-c3cncc(N4CCCCC4)c3)ccc2NC1.
What is the InChIKey of 3-ethyl-6-(5-piperidin-1-yl-3-pyridinyl)-N-pyridin-4-yl-1,2-dihydroquinoline-4-carboxamide?
The InChIKey is RDZICCYTGMUATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O/c1-2-19-17-30-25-7-6-20(21-14-23(18-29-16-21)32-12-4-3-5-13-32)15-24(25)26(19)27(33)31-22-8-10-28-11-9-22/h6-11,14-16,18,30H,2-5,12-13,17H2,1H3,(H,28,31,33).
What are the key properties of 3-ethyl-6-(5-piperidin-1-yl-3-pyridinyl)-N-pyridin-4-yl-1,2-dihydroquinoline-4-carboxamide?
3-ethyl-6-(5-piperidin-1-yl-3-pyridinyl)-N-pyridin-4-yl-1,2-dihydroquinoline-4-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(5-piperidin-1-yl-3-pyridinyl)-N-pyridin-4-yl-1,2-dihydroquinoline-4-carboxamide is sourced from PubChem (CID 123997935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).