N-(2-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide

C22H21ClN4O — CID 109199103

IUPACN-(2-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(Nc2ccc(N3CCCC3)cc2)cn1
InChIInChI=1S/C22H21ClN4O/c23-19-5-1-2-6-20(19)26-22(28)21-12-9-17(15-24-21)25-16-7-10-18(11-8-16)27-13-3-4-14-27/h1-2,5-12,15,25H,3-4,13-14H2,(H,26,28)
InChIKeySUNKMPWWPDFNKT-UHFFFAOYSA-N
MW392.89 g/mol
LogP5.33
Rot. Bonds5

About N-(2-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide

N-(2-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide (PubChem CID 109199103) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
PubChem CID109199103
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC NameN-(2-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(Nc2ccc(N3CCCC3)cc2)cn1
InChIInChI=1S/C22H21ClN4O/c23-19-5-1-2-6-20(19)26-22(28)21-12-9-17(15-24-21)25-16-7-10-18(11-8-16)27-13-3-4-14-27/h1-2,5-12,15,25H,3-4,13-14H2,(H,26,28)
InChIKeySUNKMPWWPDFNKT-UHFFFAOYSA-N
XLogP5.33
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.33
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

N-(2-fluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109198850
N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109268626
5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109199047
N-(2,4-difluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109200605
5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109179591
N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199887
N-(2,3-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109182144
methyl 4-[[6-[(2-chlorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199100
5-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109200601
N-(2-chlorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183519
azepan-1-yl-[5-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109196821
[5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181885

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide (CID 109199103) is N-(2-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide is O=C(Nc1ccccc1Cl)c1ccc(Nc2ccc(N3CCCC3)cc2)cn1.
What is the InChIKey of N-(2-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
The InChIKey is SUNKMPWWPDFNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c23-19-5-1-2-6-20(19)26-22(28)21-12-9-17(15-24-21)25-16-7-10-18(11-8-16)27-13-3-4-14-27/h1-2,5-12,15,25H,3-4,13-14H2,(H,26,28).
What are the key properties of N-(2-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
N-(2-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide has a molecular weight of 392.89 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109199103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).