N-(pyridin-2-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide

C22H23N5O — CID 109235020

IUPACN-(pyridin-2-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cncc(Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C22H23N5O/c28-22(25-16-19-5-1-2-10-24-19)17-13-20(15-23-14-17)26-18-6-8-21(9-7-18)27-11-3-4-12-27/h1-2,5-10,13-15,26H,3-4,11-12,16H2,(H,25,28)
InChIKeyHTTHLKMDMZBFAM-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.75
Rot. Bonds6

About N-(pyridin-2-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide

N-(pyridin-2-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide (PubChem CID 109235020) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
PubChem CID109235020
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-(pyridin-2-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cncc(Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C22H23N5O/c28-22(25-16-19-5-1-2-10-24-19)17-13-20(15-23-14-17)26-18-6-8-21(9-7-18)27-11-3-4-12-27/h1-2,5-10,13-15,26H,3-4,11-12,16H2,(H,25,28)
InChIKeyHTTHLKMDMZBFAM-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234957
N-[(2-fluorophenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109233382
5-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234998
methyl 4-[[5-(pyridin-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109235016
5-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109235030
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234938
N-[2-(dimethylamino)ethyl]-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109229226
2-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 110648259
N-[3-(dimethylamino)propyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109229852
5-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109235050
4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109204576
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109235057

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide (CID 109235020) is N-(pyridin-2-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide is O=C(NCc1ccccn1)c1cncc(Nc2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide?
The InChIKey is HTTHLKMDMZBFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-22(25-16-19-5-1-2-10-24-19)17-13-20(15-23-14-17)26-18-6-8-21(9-7-18)27-11-3-4-12-27/h1-2,5-10,13-15,26H,3-4,11-12,16H2,(H,25,28).
What are the key properties of N-(pyridin-2-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide?
N-(pyridin-2-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109235020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).