2-pyridin-4-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide

C25H23N5O — CID 55533813

IUPAC2-pyridin-4-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide
SMILESO=C(NCc1ccnc(N2CCCC2)c1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C25H23N5O/c31-25(28-17-18-7-12-27-24(15-18)30-13-3-4-14-30)21-16-23(19-8-10-26-11-9-19)29-22-6-2-1-5-20(21)22/h1-2,5-12,15-16H,3-4,13-14,17H2,(H,28,31)
InChIKeySMCCBWMGJDOVTO-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.22
Rot. Bonds5

About 2-pyridin-4-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide

2-pyridin-4-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide (PubChem CID 55533813) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-pyridin-4-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide
PubChem CID55533813
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name2-pyridin-4-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide
SMILESO=C(NCc1ccnc(N2CCCC2)c1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C25H23N5O/c31-25(28-17-18-7-12-27-24(15-18)30-13-3-4-14-30)21-16-23(19-8-10-26-11-9-19)29-22-6-2-1-5-20(21)22/h1-2,5-12,15-16H,3-4,13-14,17H2,(H,28,31)
InChIKeySMCCBWMGJDOVTO-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide
CID 36754760
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749438
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55522332
N-[(2-ethyl-4-pyridinyl)methyl]-2-phenylquinoline-4-carboxamide
CID 69053992
N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4077298
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 119946403
N-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 32636581
N-(furan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3241370

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-pyridin-4-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide (CID 55533813) is 2-pyridin-4-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-pyridin-4-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-pyridin-4-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide is O=C(NCc1ccnc(N2CCCC2)c1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of 2-pyridin-4-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide?
The InChIKey is SMCCBWMGJDOVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c31-25(28-17-18-7-12-27-24(15-18)30-13-3-4-14-30)21-16-23(19-8-10-26-11-9-19)29-22-6-2-1-5-20(21)22/h1-2,5-12,15-16H,3-4,13-14,17H2,(H,28,31).
What are the key properties of 2-pyridin-4-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide?
2-pyridin-4-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 55533813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).