2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide

C25H23N5O — CID 58154715

IUPAC2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide
SMILESO=C(Nc1cccc(CN2CCCC2)n1)c1cccc2ccc(-c3cccnc3)nc12
InChIInChI=1S/C25H23N5O/c31-25(29-23-10-4-8-20(27-23)17-30-14-1-2-15-30)21-9-3-6-18-11-12-22(28-24(18)21)19-7-5-13-26-16-19/h3-13,16H,1-2,14-15,17H2,(H,27,29,31)
InChIKeyQATYQHINIOKQPN-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.54
Rot. Bonds5

About 2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide

2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide (PubChem CID 58154715) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide.

Molecular Properties

Compound Name2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide
PubChem CID58154715
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide
SMILESO=C(Nc1cccc(CN2CCCC2)n1)c1cccc2ccc(-c3cccnc3)nc12
InChIInChI=1S/C25H23N5O/c31-25(29-23-10-4-8-20(27-23)17-30-14-1-2-15-30)21-9-3-6-18-11-12-22(28-24(18)21)19-7-5-13-26-16-19/h3-13,16H,1-2,14-15,17H2,(H,27,29,31)
InChIKeyQATYQHINIOKQPN-UHFFFAOYSA-N
XLogP4.54
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide
CID 58154750
2-[3-(difluoromethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide
CID 58154754
N-(4,6-dimethyl-2-pyridinyl)-2-pyridin-3-ylquinoline-8-carboxamide
CID 58154640
2-phenyl-N-pyrazin-2-ylquinoline-8-carboxamide
CID 44555104
N-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]quinoline-8-carboxamide
CID 44553756
3-(2-piperidin-1-ylethoxy)-N-(2-pyridin-3-ylquinolin-8-yl)benzamide
CID 157127954
1-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-3-[6-(piperidin-1-ylmethyl)-2-pyridinyl]urea
CID 71207215
1-[6-(azepan-1-ylmethyl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea;hydrochloride
CID 69410895
N-pyrazin-2-yl-8-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-2-carboxamide
CID 70853008
2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-c]pyridin-6-amine
CID 170725566
2-[3-(difluoromethyl)phenyl]-N-[4-(morpholin-4-ylmethyl)phenyl]quinoline-8-carboxamide
CID 58154511
ethane;6-methyl-N-(6-pyridin-3-yl-2-pyridinyl)pyridine-2-carboxamide
CID 143094222

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide?
The IUPAC name of 2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide (CID 58154715) is 2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide.
What is the SMILES notation for 2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide?
The canonical SMILES for 2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide is O=C(Nc1cccc(CN2CCCC2)n1)c1cccc2ccc(-c3cccnc3)nc12.
What is the InChIKey of 2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide?
The InChIKey is QATYQHINIOKQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c31-25(29-23-10-4-8-20(27-23)17-30-14-1-2-15-30)21-9-3-6-18-11-12-22(28-24(18)21)19-7-5-13-26-16-19/h3-13,16H,1-2,14-15,17H2,(H,27,29,31).
What are the key properties of 2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide?
2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide is sourced from PubChem (CID 58154715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).