N-(pyridin-4-ylmethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide

C21H22N6O — CID 109191479

IUPACN-(pyridin-4-ylmethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(N2CCN(c3ccccn3)CC2)cn1
InChIInChI=1S/C21H22N6O/c28-21(25-15-17-6-9-22-10-7-17)19-5-4-18(16-24-19)26-11-13-27(14-12-26)20-3-1-2-8-23-20/h1-10,16H,11-15H2,(H,25,28)
InChIKeyDETBSNPDSLGUSA-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.13
Rot. Bonds5

About N-(pyridin-4-ylmethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide

N-(pyridin-4-ylmethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109191479) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109191479
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC NameN-(pyridin-4-ylmethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(N2CCN(c3ccccn3)CC2)cn1
InChIInChI=1S/C21H22N6O/c28-21(25-15-17-6-9-22-10-7-17)19-5-4-18(16-24-19)26-11-13-27(14-12-26)20-3-1-2-8-23-20/h1-10,16H,11-15H2,(H,25,28)
InChIKeyDETBSNPDSLGUSA-UHFFFAOYSA-N
XLogP2.13
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209654
5-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190892
N-benzyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109187850
N-(pyridin-4-ylmethyl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109137199
N-[(4-fluorophenyl)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109233560
5-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109184765
5-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 104642246
N-(2,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109194484
5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283539
N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169442
5-phenyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 110683582
5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carbothioamide
CID 115488135

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide (CID 109191479) is N-(pyridin-4-ylmethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide is O=C(NCc1ccncc1)c1ccc(N2CCN(c3ccccn3)CC2)cn1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is DETBSNPDSLGUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c28-21(25-15-17-6-9-22-10-7-17)19-5-4-18(16-24-19)26-11-13-27(14-12-26)20-3-1-2-8-23-20/h1-10,16H,11-15H2,(H,25,28).
What are the key properties of N-(pyridin-4-ylmethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide?
N-(pyridin-4-ylmethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109191479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).