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

C22H30N4O — CID 109175938

IUPAC2-(dipropylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)Nc2ccc(N3CCCC3)cc2)ccn1
InChIInChI=1S/C22H30N4O/c1-3-13-26(14-4-2)21-17-18(11-12-23-21)22(27)24-19-7-9-20(10-8-19)25-15-5-6-16-25/h7-12,17H,3-6,13-16H2,1-2H3,(H,24,27)
InChIKeyCALPIMCHJHAINC-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.56
Rot. Bonds8

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

2-(dipropylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide (PubChem CID 109175938) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(dipropylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(dipropylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
PubChem CID109175938
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name2-(dipropylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)Nc2ccc(N3CCCC3)cc2)ccn1
InChIInChI=1S/C22H30N4O/c1-3-13-26(14-4-2)21-17-18(11-12-23-21)22(27)24-19-7-9-20(10-8-19)25-15-5-6-16-25/h7-12,17H,3-6,13-16H2,1-2H3,(H,24,27)
InChIKeyCALPIMCHJHAINC-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
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

2-(dipropylamino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109175918
4-(dipropylamino)-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide
CID 109218448
N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide
CID 109175898
2-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166232
2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109168800
2-amino-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 110862205
4-N,4-N-diethyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide
CID 109088853
4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide
CID 109083518
2-(2-methoxyethylamino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166955
2-[(4-methylphenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109170032
N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide
CID 2894189
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109178731

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(dipropylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide (CID 109175938) is 2-(dipropylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(dipropylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(dipropylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide is CCCN(CCC)c1cc(C(=O)Nc2ccc(N3CCCC3)cc2)ccn1.
What is the InChIKey of 2-(dipropylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide?
The InChIKey is CALPIMCHJHAINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-3-13-26(14-4-2)21-17-18(11-12-23-21)22(27)24-19-7-9-20(10-8-19)25-15-5-6-16-25/h7-12,17H,3-6,13-16H2,1-2H3,(H,24,27).
What are the key properties of 2-(dipropylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide?
2-(dipropylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109175938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).