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

C23H32N4O — CID 109218448

IUPAC4-(dipropylamino)-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide
SMILESCCCN(CCC)c1ccnc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C23H32N4O/c1-3-14-26(15-4-2)21-12-13-24-22(18-21)23(28)25-19-8-10-20(11-9-19)27-16-6-5-7-17-27/h8-13,18H,3-7,14-17H2,1-2H3,(H,25,28)
InChIKeyUAUFJKSUAQKYNC-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.95
Rot. Bonds8

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

4-(dipropylamino)-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide (PubChem CID 109218448) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 4-(dipropylamino)-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(dipropylamino)-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide
PubChem CID109218448
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name4-(dipropylamino)-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide
SMILESCCCN(CCC)c1ccnc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C23H32N4O/c1-3-14-26(15-4-2)21-12-13-24-22(18-21)23(28)25-19-8-10-20(11-9-19)27-16-6-5-7-17-27/h8-13,18H,3-7,14-17H2,1-2H3,(H,25,28)
InChIKeyUAUFJKSUAQKYNC-UHFFFAOYSA-N
XLogP4.95
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.95
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

4-(N-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109220342
2-(dipropylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109175938
N-(4-ethylphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204642
4-N,4-N-diethyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide
CID 109088853
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
N-(4-ethoxyphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204671
N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203936
N-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080459
4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide
CID 109083518
4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109218660
4-(cyclohexylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109205031
4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109204680

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylamino)-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(dipropylamino)-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide (CID 109218448) is 4-(dipropylamino)-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(dipropylamino)-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(dipropylamino)-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide is CCCN(CCC)c1ccnc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of 4-(dipropylamino)-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide?
The InChIKey is UAUFJKSUAQKYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-3-14-26(15-4-2)21-12-13-24-22(18-21)23(28)25-19-8-10-20(11-9-19)27-16-6-5-7-17-27/h8-13,18H,3-7,14-17H2,1-2H3,(H,25,28).
What are the key properties of 4-(dipropylamino)-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide?
4-(dipropylamino)-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide has a molecular weight of 380.54 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109218448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).