4-chloro-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide

C17H18ClN3O4 — CID 9269080

IUPAC4-chloro-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)CNC(=O)c2cc(Cl)ccn2)cc1OC
InChIInChI=1S/C17H18ClN3O4/c1-24-14-4-3-11(7-15(14)25-2)9-20-16(22)10-21-17(23)13-8-12(18)5-6-19-13/h3-8H,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRBJHXALOTOKQNZ-UHFFFAOYSA-N
MW363.80 g/mol
LogP1.80
Rot. Bonds7

About 4-chloro-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide

4-chloro-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 9269080) has the molecular formula C17H18ClN3O4 and a molecular weight of 363.80 g/mol. Its IUPAC name is 4-chloro-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide
PubChem CID9269080
Molecular FormulaC17H18ClN3O4
Molecular Weight363.80 g/mol
Exact Mass363.10
IUPAC Name4-chloro-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)CNC(=O)c2cc(Cl)ccn2)cc1OC
InChIInChI=1S/C17H18ClN3O4/c1-24-14-4-3-11(7-15(14)25-2)9-20-16(22)10-21-17(23)13-8-12(18)5-6-19-13/h3-8H,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyRBJHXALOTOKQNZ-UHFFFAOYSA-N
XLogP1.80
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]acetamide
CID 112994111
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
1-(4-chloro-2-pyridinyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896855
N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
2-(3,5-dichloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 26417644
2-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109309906
4-chloro-N-[2-(cyclopropylmethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 24667080
4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109209796
2-(4-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109309907
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoroanilino)pyridine-2-carboxamide
CID 109215529
4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
CID 9401789
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 62234893

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide (CID 9269080) is 4-chloro-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide is COc1ccc(CNC(=O)CNC(=O)c2cc(Cl)ccn2)cc1OC.
What is the InChIKey of 4-chloro-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is RBJHXALOTOKQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4/c1-24-14-4-3-11(7-15(14)25-2)9-20-16(22)10-21-17(23)13-8-12(18)5-6-19-13/h3-8H,9-10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 4-chloro-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide?
4-chloro-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 363.80 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 9269080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).