3-amino-N-cyclohexyl-6-(5-pyrrolidin-1-yl-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide

C25H31N5O — CID 144929005

IUPAC3-amino-N-cyclohexyl-6-(5-pyrrolidin-1-yl-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide
SMILESNC1=C(C(=O)NC2CCCCC2)c2cc(-c3cncc(N4CCCC4)c3)ccc2NC1
InChIInChI=1S/C25H31N5O/c26-22-16-28-23-9-8-17(18-12-20(15-27-14-18)30-10-4-5-11-30)13-21(23)24(22)25(31)29-19-6-2-1-3-7-19/h8-9,12-15,19,28H,1-7,10-11,16,26H2,(H,29,31)
InChIKeyWQSWCPDWZQFYSF-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.89
Rot. Bonds4

About 3-amino-N-cyclohexyl-6-(5-pyrrolidin-1-yl-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide

3-amino-N-cyclohexyl-6-(5-pyrrolidin-1-yl-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide (PubChem CID 144929005) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is 3-amino-N-cyclohexyl-6-(5-pyrrolidin-1-yl-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclohexyl-6-(5-pyrrolidin-1-yl-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide
PubChem CID144929005
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC Name3-amino-N-cyclohexyl-6-(5-pyrrolidin-1-yl-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide
SMILESNC1=C(C(=O)NC2CCCCC2)c2cc(-c3cncc(N4CCCC4)c3)ccc2NC1
InChIInChI=1S/C25H31N5O/c26-22-16-28-23-9-8-17(18-12-20(15-27-14-18)30-10-4-5-11-30)13-21(23)24(22)25(31)29-19-6-2-1-3-7-19/h8-9,12-15,19,28H,1-7,10-11,16,26H2,(H,29,31)
InChIKeyWQSWCPDWZQFYSF-UHFFFAOYSA-N
XLogP3.89
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-cyclohexyl-6-(5-pyrrolidin-1-yl-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-ethyl-6-(5-piperidin-1-yl-3-pyridinyl)-N-pyridin-4-yl-1,2-dihydroquinoline-4-carboxamide
CID 123997935
N-cyclopentyl-5-piperidin-1-ylpyridine-3-carboxamide
CID 109225879
6-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[6-(trifluoromethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide
CID 142333773
5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 109182978
2-[2-amino-5-(5-morpholin-4-yl-3-pyridinyl)phenyl]-N-(4-ethylcyclooctyl)acetamide
CID 123869598
N-[6-(azetidin-1-yl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450857
N-(6-cyano-2,3-dihydropyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450927
4-(5-amino-3-pyridinyl)-N-cyclobutylbenzamide
CID 118795848
N-cyclohexyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 46032904
N-[6-(methanesulfonamido)-3-pyridinyl]-7-(5-piperidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-2,4-benzodiazepine-5-carboxamide
CID 144555507
6-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-ethyl-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1,2-dihydroquinoline-4-carboxamide
CID 123930151
N-cyclohexyl-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53108563

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclohexyl-6-(5-pyrrolidin-1-yl-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide?
The IUPAC name of 3-amino-N-cyclohexyl-6-(5-pyrrolidin-1-yl-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide (CID 144929005) is 3-amino-N-cyclohexyl-6-(5-pyrrolidin-1-yl-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide.
What is the SMILES notation for 3-amino-N-cyclohexyl-6-(5-pyrrolidin-1-yl-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide?
The canonical SMILES for 3-amino-N-cyclohexyl-6-(5-pyrrolidin-1-yl-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide is NC1=C(C(=O)NC2CCCCC2)c2cc(-c3cncc(N4CCCC4)c3)ccc2NC1.
What is the InChIKey of 3-amino-N-cyclohexyl-6-(5-pyrrolidin-1-yl-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide?
The InChIKey is WQSWCPDWZQFYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O/c26-22-16-28-23-9-8-17(18-12-20(15-27-14-18)30-10-4-5-11-30)13-21(23)24(22)25(31)29-19-6-2-1-3-7-19/h8-9,12-15,19,28H,1-7,10-11,16,26H2,(H,29,31).
What are the key properties of 3-amino-N-cyclohexyl-6-(5-pyrrolidin-1-yl-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide?
3-amino-N-cyclohexyl-6-(5-pyrrolidin-1-yl-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide has a molecular weight of 417.56 g/mol, XLogP of 3.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclohexyl-6-(5-pyrrolidin-1-yl-3-pyridinyl)-1,2-dihydroquinoline-4-carboxamide is sourced from PubChem (CID 144929005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).