N-[4-(dimethylamino)phenyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide

C22H24N4O2 — CID 109190538

IUPACN-[4-(dimethylamino)phenyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
SMILESCOc1ccc(CNc2ccc(C(=O)Nc3ccc(N(C)C)cc3)nc2)cc1
InChIInChI=1S/C22H24N4O2/c1-26(2)19-9-6-17(7-10-19)25-22(27)21-13-8-18(15-24-21)23-14-16-4-11-20(28-3)12-5-16/h4-13,15,23H,14H2,1-3H3,(H,25,27)
InChIKeyPBRKBDYZQONZNU-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.02
Rot. Bonds7

About N-[4-(dimethylamino)phenyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide

N-[4-(dimethylamino)phenyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide (PubChem CID 109190538) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
PubChem CID109190538
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[4-(dimethylamino)phenyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
SMILESCOc1ccc(CNc2ccc(C(=O)Nc3ccc(N(C)C)cc3)nc2)cc1
InChIInChI=1S/C22H24N4O2/c1-26(2)19-9-6-17(7-10-19)25-22(27)21-13-8-18(15-24-21)23-14-16-4-11-20(28-3)12-5-16/h4-13,15,23H,14H2,1-3H3,(H,25,27)
InChIKeyPBRKBDYZQONZNU-UHFFFAOYSA-N
XLogP4.02
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190534
N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189803
5-(benzylamino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109188090
N-(4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191679
N-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190354
N-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190530
4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
CID 855075
N-[4-(dimethylamino)phenyl]-5-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109184150
N-(3-fluorophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190539
5-[(4-methoxyphenyl)methylamino]-N-propylpyridine-2-carboxamide
CID 109179073
N-(2,5-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190528
N-cyclopropyl-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109179866

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide (CID 109190538) is N-[4-(dimethylamino)phenyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide is COc1ccc(CNc2ccc(C(=O)Nc3ccc(N(C)C)cc3)nc2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is PBRKBDYZQONZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-26(2)19-9-6-17(7-10-19)25-22(27)21-13-8-18(15-24-21)23-14-16-4-11-20(28-3)12-5-16/h4-13,15,23H,14H2,1-3H3,(H,25,27).
What are the key properties of N-[4-(dimethylamino)phenyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide?
N-[4-(dimethylamino)phenyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109190538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).