2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide

C23H25N5O2 — CID 42747938

IUPAC2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(NC(=O)Nc2ccc(N(C)C)c(C(=O)NCc3cccnc3)c2)cc1
InChIInChI=1S/C23H25N5O2/c1-16-6-8-18(9-7-16)26-23(30)27-19-10-11-21(28(2)3)20(13-19)22(29)25-15-17-5-4-12-24-14-17/h4-14H,15H2,1-3H3,(H,25,29)(H2,26,27,30)
InChIKeyFNSBWDVFJAJPCN-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.03
Rot. Bonds6

About 2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide

2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 42747938) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID42747938
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(NC(=O)Nc2ccc(N(C)C)c(C(=O)NCc3cccnc3)c2)cc1
InChIInChI=1S/C23H25N5O2/c1-16-6-8-18(9-7-16)26-23(30)27-19-10-11-21(28(2)3)20(13-19)22(29)25-15-17-5-4-12-24-14-17/h4-14H,15H2,1-3H3,(H,25,29)(H2,26,27,30)
InChIKeyFNSBWDVFJAJPCN-UHFFFAOYSA-N
XLogP4.03
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.03
H-Bond Donors ≤ 53
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

5-[(3-chlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 42747935
2-(dimethylamino)-N-(pyridin-3-ylmethyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 42747627
N-benzyl-2-(dimethylamino)-5-(ethylcarbamoylamino)benzamide
CID 771458
2-[(4-methylphenyl)carbamothioylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 100639374
N-benzyl-5-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-(dimethylamino)benzamide
CID 42659105
2-methyl-5-(4-methylphenyl)-N-(pyridin-3-ylmethyl)furan-3-carboxamide
CID 17015882
ethyl 2-[[3-(benzylcarbamoyl)-4-(dimethylamino)phenyl]carbamoylamino]acetate
CID 5240482
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197
N-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide
CID 4042632
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide (CID 42747938) is 2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide is Cc1ccc(NC(=O)Nc2ccc(N(C)C)c(C(=O)NCc3cccnc3)c2)cc1.
What is the InChIKey of 2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is FNSBWDVFJAJPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-16-6-8-18(9-7-16)26-23(30)27-19-10-11-21(28(2)3)20(13-19)22(29)25-15-17-5-4-12-24-14-17/h4-14H,15H2,1-3H3,(H,25,29)(H2,26,27,30).
What are the key properties of 2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide?
2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 403.49 g/mol, XLogP of 4.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 42747938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).