5-N-(4-chloro-2-methylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide

C19H23ClN4O2 — CID 109104343

IUPAC5-N-(4-chloro-2-methylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cncc(C(=O)NCCCN(C)C)c1
InChIInChI=1S/C19H23ClN4O2/c1-13-9-16(20)5-6-17(13)23-19(26)15-10-14(11-21-12-15)18(25)22-7-4-8-24(2)3/h5-6,9-12H,4,7-8H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyGKUDIWXJNXDUNJ-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.98
Rot. Bonds7

About 5-N-(4-chloro-2-methylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide

5-N-(4-chloro-2-methylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide (PubChem CID 109104343) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 5-N-(4-chloro-2-methylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(4-chloro-2-methylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
PubChem CID109104343
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name5-N-(4-chloro-2-methylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cncc(C(=O)NCCCN(C)C)c1
InChIInChI=1S/C19H23ClN4O2/c1-13-9-16(20)5-6-17(13)23-19(26)15-10-14(11-21-12-15)18(25)22-7-4-8-24(2)3/h5-6,9-12H,4,7-8H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyGKUDIWXJNXDUNJ-UHFFFAOYSA-N
XLogP2.98
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 47225106
3-N-benzyl-5-N-(4-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109105042
5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104366
5-N-benzyl-3-N-(4-chloro-2-methylphenyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109105473
5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide
CID 109107296
1-N-butyl-3-N-(4-chloro-2-methylphenyl)benzene-1,3-dicarboxamide
CID 109051168
3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109101925
5-N-(4-chloro-2-methylphenyl)-3-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103367
5-N-(4-chloro-2-methylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106048
ethyl 2-[[5-[3-(dimethylamino)propylcarbamoyl]pyridine-3-carbonyl]amino]benzoate
CID 109104386
N-[3-(dimethylamino)propyl]-5-iodopyridine-3-carboxamide
CID 167310023
5-N-(2,6-diethylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104332

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-chloro-2-methylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(4-chloro-2-methylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide (CID 109104343) is 5-N-(4-chloro-2-methylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(4-chloro-2-methylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(4-chloro-2-methylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide is Cc1cc(Cl)ccc1NC(=O)c1cncc(C(=O)NCCCN(C)C)c1.
What is the InChIKey of 5-N-(4-chloro-2-methylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide?
The InChIKey is GKUDIWXJNXDUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-13-9-16(20)5-6-17(13)23-19(26)15-10-14(11-21-12-15)18(25)22-7-4-8-24(2)3/h5-6,9-12H,4,7-8H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 5-N-(4-chloro-2-methylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide?
5-N-(4-chloro-2-methylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide has a molecular weight of 374.87 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-chloro-2-methylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109104343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).