N-(2-azabicyclo[2.1.1]hexan-5-yl)-2-pyridin-2-ylquinoline-4-carboxamide

C20H18N4O — CID 166250629

IUPACN-(2-azabicyclo[2.1.1]hexan-5-yl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NC1C2CNC1C2)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C20H18N4O/c25-20(24-19-12-9-18(19)22-11-12)14-10-17(16-7-3-4-8-21-16)23-15-6-2-1-5-13(14)15/h1-8,10,12,18-19,22H,9,11H2,(H,24,25)
InChIKeyHTAWYTJFTFRZJU-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.39
Rot. Bonds3

About N-(2-azabicyclo[2.1.1]hexan-5-yl)-2-pyridin-2-ylquinoline-4-carboxamide

N-(2-azabicyclo[2.1.1]hexan-5-yl)-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 166250629) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(2-azabicyclo[2.1.1]hexan-5-yl)-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-azabicyclo[2.1.1]hexan-5-yl)-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID166250629
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-(2-azabicyclo[2.1.1]hexan-5-yl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NC1C2CNC1C2)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C20H18N4O/c25-20(24-19-12-9-18(19)22-11-12)14-10-17(16-7-3-4-8-21-16)23-15-6-2-1-5-13(14)15/h1-8,10,12,18-19,22H,9,11H2,(H,24,25)
InChIKeyHTAWYTJFTFRZJU-UHFFFAOYSA-N
XLogP2.39
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672
N-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578
N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757634
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N-(4-carbamoylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 26636560
N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 4793520
N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 71828124
N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 46975748
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 9078711
methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 2220860
N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 3611934
N-(2,5-difluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798209

Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.1.1]hexan-5-yl)-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-azabicyclo[2.1.1]hexan-5-yl)-2-pyridin-2-ylquinoline-4-carboxamide (CID 166250629) is N-(2-azabicyclo[2.1.1]hexan-5-yl)-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-azabicyclo[2.1.1]hexan-5-yl)-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-azabicyclo[2.1.1]hexan-5-yl)-2-pyridin-2-ylquinoline-4-carboxamide is O=C(NC1C2CNC1C2)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of N-(2-azabicyclo[2.1.1]hexan-5-yl)-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is HTAWYTJFTFRZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c25-20(24-19-12-9-18(19)22-11-12)14-10-17(16-7-3-4-8-21-16)23-15-6-2-1-5-13(14)15/h1-8,10,12,18-19,22H,9,11H2,(H,24,25).
What are the key properties of N-(2-azabicyclo[2.1.1]hexan-5-yl)-2-pyridin-2-ylquinoline-4-carboxamide?
N-(2-azabicyclo[2.1.1]hexan-5-yl)-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.1.1]hexan-5-yl)-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 166250629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).