4-(cyclohexylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide

C22H28N4O — CID 109205031

IUPAC4-(cyclohexylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cc(NC2CCCCC2)ccn1
InChIInChI=1S/C22H28N4O/c27-22(25-18-8-10-20(11-9-18)26-14-4-5-15-26)21-16-19(12-13-23-21)24-17-6-2-1-3-7-17/h8-13,16-17H,1-7,14-15H2,(H,23,24)(H,25,27)
InChIKeyFCCIBGPMJGOZKU-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.68
Rot. Bonds5

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

4-(cyclohexylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide (PubChem CID 109205031) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-(cyclohexylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
PubChem CID109205031
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name4-(cyclohexylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cc(NC2CCCCC2)ccn1
InChIInChI=1S/C22H28N4O/c27-22(25-18-8-10-20(11-9-18)26-14-4-5-15-26)21-16-19(12-13-23-21)24-17-6-2-1-3-7-17/h8-13,16-17H,1-7,14-15H2,(H,23,24)(H,25,27)
InChIKeyFCCIBGPMJGOZKU-UHFFFAOYSA-N
XLogP4.68
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopropylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 109202033
N-(4-bromophenyl)-4-(cycloheptylamino)pyridine-2-carboxamide
CID 109217159
4-(cycloheptylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109217173
4-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109205065
6-(cyclohexylamino)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109363902
5-(cycloheptylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 109287624
N-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080459
4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109218660
4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109218267
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203936
N-(2-chlorophenyl)-4-(cyclohexylamino)pyridine-2-carboxamide
CID 109204995

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(cyclohexylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide (CID 109205031) is 4-(cyclohexylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(cyclohexylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(cyclohexylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)c1cc(NC2CCCCC2)ccn1.
What is the InChIKey of 4-(cyclohexylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The InChIKey is FCCIBGPMJGOZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c27-22(25-18-8-10-20(11-9-18)26-14-4-5-15-26)21-16-19(12-13-23-21)24-17-6-2-1-3-7-17/h8-13,16-17H,1-7,14-15H2,(H,23,24)(H,25,27).
What are the key properties of 4-(cyclohexylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
4-(cyclohexylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109205031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).