2-N-(3-chloro-4-methoxyphenyl)-4-N-[2-(dimethylamino)ethyl]pyridine-2,4-dicarboxamide

C18H21ClN4O3 — CID 109083492

IUPAC2-N-(3-chloro-4-methoxyphenyl)-4-N-[2-(dimethylamino)ethyl]pyridine-2,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cc(C(=O)NCCN(C)C)ccn2)cc1Cl
InChIInChI=1S/C18H21ClN4O3/c1-23(2)9-8-21-17(24)12-6-7-20-15(10-12)18(25)22-13-4-5-16(26-3)14(19)11-13/h4-7,10-11H,8-9H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyLHYGSQDQWJSBNE-UHFFFAOYSA-N
MW376.84 g/mol
LogP2.29
Rot. Bonds7

About 2-N-(3-chloro-4-methoxyphenyl)-4-N-[2-(dimethylamino)ethyl]pyridine-2,4-dicarboxamide

2-N-(3-chloro-4-methoxyphenyl)-4-N-[2-(dimethylamino)ethyl]pyridine-2,4-dicarboxamide (PubChem CID 109083492) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-N-(3-chloro-4-methoxyphenyl)-4-N-[2-(dimethylamino)ethyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-chloro-4-methoxyphenyl)-4-N-[2-(dimethylamino)ethyl]pyridine-2,4-dicarboxamide
PubChem CID109083492
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Name2-N-(3-chloro-4-methoxyphenyl)-4-N-[2-(dimethylamino)ethyl]pyridine-2,4-dicarboxamide
SMILESCOc1ccc(NC(=O)c2cc(C(=O)NCCN(C)C)ccn2)cc1Cl
InChIInChI=1S/C18H21ClN4O3/c1-23(2)9-8-21-17(24)12-6-7-20-15(10-12)18(25)22-13-4-5-16(26-3)14(19)11-13/h4-7,10-11H,8-9H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyLHYGSQDQWJSBNE-UHFFFAOYSA-N
XLogP2.29
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(3-chloro-4-methoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 109053219
N-(3-chloro-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide
CID 109167847
4-N-(3-chloro-4-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109090928
2-N-benzyl-4-N-(3-chloro-4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109085469
6-N-(3-chloro-4-methoxyphenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096594
2-N-(3,4-dimethoxyphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082596
4-N-[2-(dimethylamino)ethyl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109083508
2-N-[2-(dimethylamino)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083565
4-N-[2-(dimethylamino)ethyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082641
4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide
CID 109083518
4-N-[3-(dimethylamino)propyl]-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
CID 109083962
4-N-butyl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109079353

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-methoxyphenyl)-4-N-[2-(dimethylamino)ethyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-chloro-4-methoxyphenyl)-4-N-[2-(dimethylamino)ethyl]pyridine-2,4-dicarboxamide (CID 109083492) is 2-N-(3-chloro-4-methoxyphenyl)-4-N-[2-(dimethylamino)ethyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-chloro-4-methoxyphenyl)-4-N-[2-(dimethylamino)ethyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-chloro-4-methoxyphenyl)-4-N-[2-(dimethylamino)ethyl]pyridine-2,4-dicarboxamide is COc1ccc(NC(=O)c2cc(C(=O)NCCN(C)C)ccn2)cc1Cl.
What is the InChIKey of 2-N-(3-chloro-4-methoxyphenyl)-4-N-[2-(dimethylamino)ethyl]pyridine-2,4-dicarboxamide?
The InChIKey is LHYGSQDQWJSBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c1-23(2)9-8-21-17(24)12-6-7-20-15(10-12)18(25)22-13-4-5-16(26-3)14(19)11-13/h4-7,10-11H,8-9H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 2-N-(3-chloro-4-methoxyphenyl)-4-N-[2-(dimethylamino)ethyl]pyridine-2,4-dicarboxamide?
2-N-(3-chloro-4-methoxyphenyl)-4-N-[2-(dimethylamino)ethyl]pyridine-2,4-dicarboxamide has a molecular weight of 376.84 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-methoxyphenyl)-4-N-[2-(dimethylamino)ethyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109083492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).