N,N-dipropyl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide

C22H30N4O — CID 109218364

IUPACN,N-dipropyl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Nc2ccc(N3CCCC3)cc2)ccn1
InChIInChI=1S/C22H30N4O/c1-3-13-26(14-4-2)22(27)21-17-19(11-12-23-21)24-18-7-9-20(10-8-18)25-15-5-6-16-25/h7-12,17H,3-6,13-16H2,1-2H3,(H,23,24)
InChIKeyQQSHQKUSAWFTTE-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.69
Rot. Bonds8

About N,N-dipropyl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide

N,N-dipropyl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide (PubChem CID 109218364) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N,N-dipropyl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dipropyl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
PubChem CID109218364
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN,N-dipropyl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Nc2ccc(N3CCCC3)cc2)ccn1
InChIInChI=1S/C22H30N4O/c1-3-13-26(14-4-2)22(27)21-17-19(11-12-23-21)24-18-7-9-20(10-8-18)25-15-5-6-16-25/h7-12,17H,3-6,13-16H2,1-2H3,(H,23,24)
InChIKeyQQSHQKUSAWFTTE-UHFFFAOYSA-N
XLogP4.69
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.69
H-Bond Donors ≤ 51
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-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109217771
4-[4-(dimethylamino)anilino]-N,N-dipropylpyridine-2-carboxamide
CID 109218362
4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid
CID 63180412
N,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109288967
2-methyl-6-(4-piperidin-1-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 112847615
N-butan-2-yl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109203383
N-propan-2-yl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109201439
azepan-1-yl-[4-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methanone
CID 109218598
(4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109208189
4-(3,4-dimethoxyanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218350
4-(3-methylanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218313
4-(3-acetamidoanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218356

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
The IUPAC name of N,N-dipropyl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide (CID 109218364) is N,N-dipropyl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N,N-dipropyl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
The canonical SMILES for N,N-dipropyl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide is CCCN(CCC)C(=O)c1cc(Nc2ccc(N3CCCC3)cc2)ccn1.
What is the InChIKey of N,N-dipropyl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
The InChIKey is QQSHQKUSAWFTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-3-13-26(14-4-2)22(27)21-17-19(11-12-23-21)24-18-7-9-20(10-8-18)25-15-5-6-16-25/h7-12,17H,3-6,13-16H2,1-2H3,(H,23,24).
What are the key properties of N,N-dipropyl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide?
N,N-dipropyl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109218364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).