N-[4-(dimethylamino)phenyl]-5-(dipropylamino)pyridine-3-carboxamide

C20H28N4O — CID 109241081

IUPACN-[4-(dimethylamino)phenyl]-5-(dipropylamino)pyridine-3-carboxamide
SMILESCCCN(CCC)c1cncc(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C20H28N4O/c1-5-11-24(12-6-2)19-13-16(14-21-15-19)20(25)22-17-7-9-18(10-8-17)23(3)4/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,22,25)
InChIKeyRBCZTWLNTJYCMW-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.03
Rot. Bonds8

About N-[4-(dimethylamino)phenyl]-5-(dipropylamino)pyridine-3-carboxamide

N-[4-(dimethylamino)phenyl]-5-(dipropylamino)pyridine-3-carboxamide (PubChem CID 109241081) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-5-(dipropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-5-(dipropylamino)pyridine-3-carboxamide
PubChem CID109241081
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[4-(dimethylamino)phenyl]-5-(dipropylamino)pyridine-3-carboxamide
SMILESCCCN(CCC)c1cncc(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C20H28N4O/c1-5-11-24(12-6-2)19-13-16(14-21-15-19)20(25)22-17-7-9-18(10-8-17)23(3)4/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,22,25)
InChIKeyRBCZTWLNTJYCMW-UHFFFAOYSA-N
XLogP4.03
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.03
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-(4-acetamidophenyl)-5-(dipropylamino)pyridine-3-carboxamide
CID 109241075
5-(dipropylamino)-N-phenylpyridine-3-carboxamide
CID 109241022
N-(3-bromo-4-methylphenyl)-5-(dipropylamino)pyridine-3-carboxamide
CID 109241057
N-[4-(dimethylamino)phenyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237137
5-(dipropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109241100
N-[4-(dimethylamino)phenyl]-5-(N-ethyl-3-methylanilino)pyridine-3-carboxamide
CID 109246001
5-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109245894
N-(2-bromophenyl)-5-(dipropylamino)pyridine-3-carboxamide
CID 109241090
N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109227960
5-(4-chloroanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109244637
5-[butyl(methyl)amino]-N-phenylpyridine-3-carboxamide
CID 109240365
N-[4-(dimethylamino)phenyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239969

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-5-(dipropylamino)pyridine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-5-(dipropylamino)pyridine-3-carboxamide (CID 109241081) is N-[4-(dimethylamino)phenyl]-5-(dipropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-5-(dipropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-5-(dipropylamino)pyridine-3-carboxamide is CCCN(CCC)c1cncc(C(=O)Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-5-(dipropylamino)pyridine-3-carboxamide?
The InChIKey is RBCZTWLNTJYCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-5-11-24(12-6-2)19-13-16(14-21-15-19)20(25)22-17-7-9-18(10-8-17)23(3)4/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,22,25).
What are the key properties of N-[4-(dimethylamino)phenyl]-5-(dipropylamino)pyridine-3-carboxamide?
N-[4-(dimethylamino)phenyl]-5-(dipropylamino)pyridine-3-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-5-(dipropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109241081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).