N-(pyridin-4-ylmethyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide

C17H18N4O2 — CID 109094786

IUPACN-(pyridin-4-ylmethyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1cccc(C(=O)N2CCCC2)n1
InChIInChI=1S/C17H18N4O2/c22-16(19-12-13-6-8-18-9-7-13)14-4-3-5-15(20-14)17(23)21-10-1-2-11-21/h3-9H,1-2,10-12H2,(H,19,22)
InChIKeyCYEFNULEAMPEPL-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.64
Rot. Bonds4

About N-(pyridin-4-ylmethyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide

N-(pyridin-4-ylmethyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109094786) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109094786
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(pyridin-4-ylmethyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1cccc(C(=O)N2CCCC2)n1
InChIInChI=1S/C17H18N4O2/c22-16(19-12-13-6-8-18-9-7-13)14-4-3-5-15(20-14)17(23)21-10-1-2-11-21/h3-9H,1-2,10-12H2,(H,19,22)
InChIKeyCYEFNULEAMPEPL-UHFFFAOYSA-N
XLogP1.64
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094778
2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097501
N-(2-methylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109094386
methyl 6-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylate
CID 47408889
6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 62232710
6-N-tert-butyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098333
2-N-[(4-methoxyphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098007
N-[2-(4-fluorophenyl)ethyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094790
N-(3-phenylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095159
6-(4-ethylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109096789
6-(pyrrolidine-1-carbonyl)-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)pyridine-2-carboxamide
CID 126805675
N-(pyridin-4-ylmethyl)azepane-1-carboxamide
CID 110706356

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide (CID 109094786) is N-(pyridin-4-ylmethyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide is O=C(NCc1ccncc1)c1cccc(C(=O)N2CCCC2)n1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is CYEFNULEAMPEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-16(19-12-13-6-8-18-9-7-13)14-4-3-5-15(20-14)17(23)21-10-1-2-11-21/h3-9H,1-2,10-12H2,(H,19,22).
What are the key properties of N-(pyridin-4-ylmethyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide?
N-(pyridin-4-ylmethyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109094786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).