2-[2-(4-chlorophenyl)ethylimino]-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide

C19H18ClN3O3 — CID 46369066

IUPAC2-[2-(4-chlorophenyl)ethylimino]-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
SMILESCc1ncc(CO)c2cc(C(N)=O)/c(=N/CCc3ccc(Cl)cc3)oc12
InChIInChI=1S/C19H18ClN3O3/c1-11-17-15(13(10-24)9-23-11)8-16(18(21)25)19(26-17)22-7-6-12-2-4-14(20)5-3-12/h2-5,8-9,24H,6-7,10H2,1H3,(H2,21,25)/b22-19-
InChIKeyYQIWESQUVQYREB-QOCHGBHMSA-N
MW371.82 g/mol
LogP2.52
Rot. Bonds5

About 2-[2-(4-chlorophenyl)ethylimino]-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide

2-[2-(4-chlorophenyl)ethylimino]-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 46369066) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylimino]-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylimino]-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
PubChem CID46369066
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name2-[2-(4-chlorophenyl)ethylimino]-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
SMILESCc1ncc(CO)c2cc(C(N)=O)/c(=N/CCc3ccc(Cl)cc3)oc12
InChIInChI=1S/C19H18ClN3O3/c1-11-17-15(13(10-24)9-23-11)8-16(18(21)25)19(26-17)22-7-6-12-2-4-14(20)5-3-12/h2-5,8-9,24H,6-7,10H2,1H3,(H2,21,25)/b22-19-
InChIKeyYQIWESQUVQYREB-QOCHGBHMSA-N
XLogP2.52
TPSA101.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)imino-5-(hydroxymethyl)-N-(4-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 5218954
2-(3-chloro-4-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(4-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide
CID 5063502
2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carbothioamide
CID 46506570
5-(hydroxymethyl)-2-(3-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carbothioamide
CID 7125874
2-(4-carbamoylphenyl)imino-N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 15955914
N-(2-chlorophenyl)-5-(hydroxymethyl)-2-(2-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4618044
N-(4-bromophenyl)-2-(3-fluoro-4-methylphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4142357
N-(4-bromophenyl)-2-(4-fluorophenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4139764
N-(2,4-difluorophenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 22425469
N-(3,4-dimethylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 4088801
[2-(4-chlorophenyl)imino-3-[(3-fluorophenyl)carbamoyl]-8-methylpyrano[2,3-c]pyridin-5-yl]methyl acetate
CID 4691861
N-(2-ethylphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
CID 5212498

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylimino]-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylimino]-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide (CID 46369066) is 2-[2-(4-chlorophenyl)ethylimino]-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylimino]-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylimino]-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide is Cc1ncc(CO)c2cc(C(N)=O)/c(=N/CCc3ccc(Cl)cc3)oc12.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylimino]-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The InChIKey is YQIWESQUVQYREB-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-11-17-15(13(10-24)9-23-11)8-16(18(21)25)19(26-17)22-7-6-12-2-4-14(20)5-3-12/h2-5,8-9,24H,6-7,10H2,1H3,(H2,21,25)/b22-19-.
What are the key properties of 2-[2-(4-chlorophenyl)ethylimino]-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
2-[2-(4-chlorophenyl)ethylimino]-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide has a molecular weight of 371.82 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylimino]-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 46369066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).