N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide

C25H26N4O — CID 166268674

IUPACN-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2C1CC1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C25H26N4O/c30-25(27-17-12-19-9-10-20(13-17)29(19)18-7-8-18)22-14-24(16-4-3-11-26-15-16)28-23-6-2-1-5-21(22)23/h1-6,11,14-15,17-20H,7-10,12-13H2,(H,27,30)
InChIKeyLSHCURXFJGRZCY-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.18
Rot. Bonds4

About N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide

N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 166268674) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID166268674
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC NameN-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2C1CC1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C25H26N4O/c30-25(27-17-12-19-9-10-20(13-17)29(19)18-7-8-18)22-14-24(16-4-3-11-26-15-16)28-23-6-2-1-5-21(22)23/h1-6,11,14-15,17-20H,7-10,12-13H2,(H,27,30)
InChIKeyLSHCURXFJGRZCY-UHFFFAOYSA-N
XLogP4.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide with MolForge

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Related Compounds

N-(1-pyrazin-2-ylpiperidin-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 119067566
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
N-[4-(cyclopentylcarbamoyl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55958082
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 119457455
N-(2-adamantylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078583
N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide
CID 78767510
N-(2-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39889991
N-(4-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39311131
N-[3-(cyclopropylmethoxy)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 31850217
N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide
CID 119388190
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
N-naphthalen-1-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25180097

Frequently Asked Questions

What is the IUPAC name of N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide (CID 166268674) is N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide is O=C(NC1CC2CCC(C1)N2C1CC1)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is LSHCURXFJGRZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c30-25(27-17-12-19-9-10-20(13-17)29(19)18-7-8-18)22-14-24(16-4-3-11-26-15-16)28-23-6-2-1-5-21(22)23/h1-6,11,14-15,17-20H,7-10,12-13H2,(H,27,30).
What are the key properties of N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide?
N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 166268674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).