N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide

C18H16FN3O3 — CID 22425475

IUPACN-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
SMILES[H]/N=c1\oc2c(C)ncc(CO)c2cc1C(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C18H16FN3O3/c1-9-3-4-12(19)5-15(9)22-18(24)14-6-13-11(8-23)7-21-10(2)16(13)25-17(14)20/h3-7,20,23H,8H2,1-2H3,(H,22,24)/b20-17-
InChIKeyPHPCAWMTXDEFAM-JZJYNLBNSA-N
MW341.34 g/mol
LogP2.81
Rot. Bonds3

About N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide

N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 22425475) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
PubChem CID22425475
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC NameN-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
SMILES[H]/N=c1\oc2c(C)ncc(CO)c2cc1C(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C18H16FN3O3/c1-9-3-4-12(19)5-15(9)22-18(24)14-6-13-11(8-23)7-21-10(2)16(13)25-17(14)20/h3-7,20,23H,8H2,1-2H3,(H,22,24)/b20-17-
InChIKeyPHPCAWMTXDEFAM-JZJYNLBNSA-N
XLogP2.81
TPSA99.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 22425488
5-(hydroxymethyl)-2-imino-8-methyl-N-[2-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide
CID 22425489
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
N-(4-bromophenyl)-2-(4-fluorophenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4139764
N-(2-fluorophenyl)-5-(hydroxymethyl)-2-(2-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 5233830
N-(4-bromophenyl)-2-(3-fluoro-4-methylphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4142357
N-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 46507644
(2E)-N-(4-bromo-3-methylphenyl)-2-hydroxyimino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 136806736
N-(5-chloro-2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 22588292
N-(2-chlorophenyl)-5-(hydroxymethyl)-2-(2-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4618044
N-(5-fluoro-2-methylphenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81236103

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide (CID 22425475) is N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide is [H]/N=c1\oc2c(C)ncc(CO)c2cc1C(=O)Nc1cc(F)ccc1C.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The InChIKey is PHPCAWMTXDEFAM-JZJYNLBNSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-9-3-4-12(19)5-15(9)22-18(24)14-6-13-11(8-23)7-21-10(2)16(13)25-17(14)20/h3-7,20,23H,8H2,1-2H3,(H,22,24)/b20-17-.
What are the key properties of N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 22425475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).