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

C21H16N4O — CID 121165463

IUPACN-[(2-pyridin-4-yl-4-pyridinyl)methyl]quinoline-2-carboxamide
SMILESO=C(NCc1ccnc(-c2ccncc2)c1)c1ccc2ccccc2n1
InChIInChI=1S/C21H16N4O/c26-21(19-6-5-16-3-1-2-4-18(16)25-19)24-14-15-7-12-23-20(13-15)17-8-10-22-11-9-17/h1-13H,14H2,(H,24,26)
InChIKeyVOMACEDOUNKOJP-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.62
Rot. Bonds4

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

N-[(2-pyridin-4-yl-4-pyridinyl)methyl]quinoline-2-carboxamide (PubChem CID 121165463) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[(2-pyridin-4-yl-4-pyridinyl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2-pyridin-4-yl-4-pyridinyl)methyl]quinoline-2-carboxamide
PubChem CID121165463
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC NameN-[(2-pyridin-4-yl-4-pyridinyl)methyl]quinoline-2-carboxamide
SMILESO=C(NCc1ccnc(-c2ccncc2)c1)c1ccc2ccccc2n1
InChIInChI=1S/C21H16N4O/c26-21(19-6-5-16-3-1-2-4-18(16)25-19)24-14-15-7-12-23-20(13-15)17-8-10-22-11-9-17/h1-13H,14H2,(H,24,26)
InChIKeyVOMACEDOUNKOJP-UHFFFAOYSA-N
XLogP3.62
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 121165498
2-oxo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]chromene-3-carboxamide
CID 121165322
3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165402
methyl 2-[(2-pyridin-4-yl-4-pyridinyl)methylcarbamoyl]benzoate
CID 121165433
N-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide
CID 68840052
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]furan-3-carboxamide
CID 121018130
N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 712665
N-[(3-chloro-4-fluorophenyl)methyl]quinoline-2-carboxamide
CID 71822257
3,4-difluoro-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121165286
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]quinoline-2-carboxamide
CID 121197126
2-(benzimidazol-1-yl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
CID 119100870
2,4-dimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121165448

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-4-yl-4-pyridinyl)methyl]quinoline-2-carboxamide?
The IUPAC name of N-[(2-pyridin-4-yl-4-pyridinyl)methyl]quinoline-2-carboxamide (CID 121165463) is N-[(2-pyridin-4-yl-4-pyridinyl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(2-pyridin-4-yl-4-pyridinyl)methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[(2-pyridin-4-yl-4-pyridinyl)methyl]quinoline-2-carboxamide is O=C(NCc1ccnc(-c2ccncc2)c1)c1ccc2ccccc2n1.
What is the InChIKey of N-[(2-pyridin-4-yl-4-pyridinyl)methyl]quinoline-2-carboxamide?
The InChIKey is VOMACEDOUNKOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c26-21(19-6-5-16-3-1-2-4-18(16)25-19)24-14-15-7-12-23-20(13-15)17-8-10-22-11-9-17/h1-13H,14H2,(H,24,26).
What are the key properties of N-[(2-pyridin-4-yl-4-pyridinyl)methyl]quinoline-2-carboxamide?
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]quinoline-2-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-4-yl-4-pyridinyl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 121165463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).