4-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide

C22H23N5O — CID 109212916

IUPAC4-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cc(NCc2ccccn2)ccn1
InChIInChI=1S/C22H23N5O/c28-22(26-17-6-8-20(9-7-17)27-13-3-4-14-27)21-15-18(10-12-24-21)25-16-19-5-1-2-11-23-19/h1-2,5-12,15H,3-4,13-14,16H2,(H,24,25)(H,26,28)
InChIKeyVGLKJZYPGAPWOY-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.94
Rot. Bonds6

About 4-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide

4-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide (PubChem CID 109212916) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
PubChem CID109212916
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name4-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cc(NCc2ccccn2)ccn1
InChIInChI=1S/C22H23N5O/c28-22(26-17-6-8-20(9-7-17)27-13-3-4-14-27)21-15-18(10-12-24-21)25-16-19-5-1-2-11-23-19/h1-2,5-12,15H,3-4,13-14,16H2,(H,24,25)(H,26,28)
InChIKeyVGLKJZYPGAPWOY-UHFFFAOYSA-N
XLogP3.94
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-piperidin-1-ylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191130
2-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109306986
N-(4-methylphenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212856
N-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120760
N-(4-piperidin-1-ylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213203
4-(pyridin-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109212905
N-(2-chlorophenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212879
N-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212927
4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109204576
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
CID 46489538
4-(2-morpholin-4-ylethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109207695
4-(cyclohexylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109205031

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide (CID 109212916) is 4-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)c1cc(NCc2ccccn2)ccn1.
What is the InChIKey of 4-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The InChIKey is VGLKJZYPGAPWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-22(26-17-6-8-20(9-7-17)27-13-3-4-14-27)21-15-18(10-12-24-21)25-16-19-5-1-2-11-23-19/h1-2,5-12,15H,3-4,13-14,16H2,(H,24,25)(H,26,28).
What are the key properties of 4-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
4-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109212916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).