4-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide

C24H28N4O — CID 109217263

IUPAC4-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)c1ccnc(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C24H28N4O/c1-18(2)28(17-19-8-6-5-7-9-19)22-14-15-25-23(16-22)24(29)26-20-10-12-21(13-11-20)27(3)4/h5-16,18H,17H2,1-4H3,(H,26,29)
InChIKeyQXYCJCTYNCMHMX-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.81
Rot. Bonds7

About 4-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide

4-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide (PubChem CID 109217263) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 4-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
PubChem CID109217263
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name4-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)c1ccnc(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C24H28N4O/c1-18(2)28(17-19-8-6-5-7-9-19)22-14-15-25-23(16-22)24(29)26-20-10-12-21(13-11-20)27(3)4/h5-16,18H,17H2,1-4H3,(H,26,29)
InChIKeyQXYCJCTYNCMHMX-UHFFFAOYSA-N
XLogP4.81
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.81
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-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109217259
6-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
CID 109354130
4-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-2-carboxamide
CID 109217244
N-[4-(dimethylamino)phenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203188
4-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211059
6-[benzyl(propan-2-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109354113
N-(4-acetylphenyl)-2-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide
CID 109311664
N-(4-acetylphenyl)-6-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide
CID 109354129
4-N-[4-(dimethylamino)phenyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087819
N-[4-(diethylamino)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide
CID 109219474
4-(N-methylanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109219436
5-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109195478

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide (CID 109217263) is 4-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide is CC(C)N(Cc1ccccc1)c1ccnc(C(=O)Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of 4-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
The InChIKey is QXYCJCTYNCMHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-18(2)28(17-19-8-6-5-7-9-19)22-14-15-25-23(16-22)24(29)26-20-10-12-21(13-11-20)27(3)4/h5-16,18H,17H2,1-4H3,(H,26,29).
What are the key properties of 4-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
4-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109217263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).