3-(dimethylamino)-5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide

C24H28N4O2 — CID 129240355

IUPAC3-(dimethylamino)-5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide
SMILESCc1c(NC(=O)c2ncc(CNCCO)cc2N(C)C)cccc1-c1ccccc1
InChIInChI=1S/C24H28N4O2/c1-17-20(19-8-5-4-6-9-19)10-7-11-21(17)27-24(30)23-22(28(2)3)14-18(16-26-23)15-25-12-13-29/h4-11,14,16,25,29H,12-13,15H2,1-3H3,(H,27,30)
InChIKeyWRDWQFCYNCBZMM-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.46
Rot. Bonds8

About 3-(dimethylamino)-5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide

3-(dimethylamino)-5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide (PubChem CID 129240355) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-(dimethylamino)-5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide
PubChem CID129240355
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name3-(dimethylamino)-5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide
SMILESCc1c(NC(=O)c2ncc(CNCCO)cc2N(C)C)cccc1-c1ccccc1
InChIInChI=1S/C24H28N4O2/c1-17-20(19-8-5-4-6-9-19)10-7-11-21(17)27-24(30)23-22(28(2)3)14-18(16-26-23)15-25-12-13-29/h4-11,14,16,25,29H,12-13,15H2,1-3H3,(H,27,30)
InChIKeyWRDWQFCYNCBZMM-UHFFFAOYSA-N
XLogP3.46
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-hydroxyethylamino)methyl]-N-[3-[3-[[5-[(2-hydroxyethylamino)methyl]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]pyridine-2-carboxamide;hydrochloride
CID 139537263
4-(cyclopropylmethoxy)-5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide
CID 129240421
5-[(2-hydroxyethylamino)methyl]-N-[3-[3-[3-[(2-hydroxyethylamino)methyl]-4-oxopyrido[1,2-a]pyrimidin-8-yl]phenyl]-2-methylphenyl]pyridine-2-carboxamide
CID 166515586
2-[[8-(2-methyl-3-phenylanilino)imidazo[1,5-a]pyrimidin-3-yl]methylamino]ethanol
CID 146339448
N-(2-methyl-3-phenylphenyl)benzamide
CID 70826263
2-[[8-[3-[3-[[3-[(2-hydroxyethylamino)methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylanilino]-1,7-naphthyridin-3-yl]methylamino]acetic acid
CID 139573258
6-[(2-acetamidoethylamino)methyl]-N-(2-methyl-3-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxamide
CID 155560527
5-formyl-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide
CID 134282246
3-(ethylaminomethyl)-N-(2-methyl-3-phenylphenyl)-1,7-naphthyridin-8-amine
CID 146304542
3-chloro-N-[2-chloro-3-[2-chloro-3-[[5-[(2-hydroxyethylamino)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]-6-methoxypyridine-2-carboxamide
CID 162377260
2-[[3-(2-methyl-3-phenylanilino)thieno[3,2-b]pyridin-6-yl]methylamino]acetamide
CID 146339380
N-[2-chloro-3-[2-methyl-3-[[5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide
CID 135163541

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide?
The IUPAC name of 3-(dimethylamino)-5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide (CID 129240355) is 3-(dimethylamino)-5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-(dimethylamino)-5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide is Cc1c(NC(=O)c2ncc(CNCCO)cc2N(C)C)cccc1-c1ccccc1.
What is the InChIKey of 3-(dimethylamino)-5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide?
The InChIKey is WRDWQFCYNCBZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-20(19-8-5-4-6-9-19)10-7-11-21(17)27-24(30)23-22(28(2)3)14-18(16-26-23)15-25-12-13-29/h4-11,14,16,25,29H,12-13,15H2,1-3H3,(H,27,30).
What are the key properties of 3-(dimethylamino)-5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide?
3-(dimethylamino)-5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.46, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-5-[(2-hydroxyethylamino)methyl]-N-(2-methyl-3-phenylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 129240355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).