4-[(2-fluoro-6-methoxybenzoyl)amino]-6-(3-hydroxypropanoylamino)-N-methylpyridine-3-carboxamide

C18H19FN4O5 — CID 156880966

IUPAC4-[(2-fluoro-6-methoxybenzoyl)amino]-6-(3-hydroxypropanoylamino)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)CCO)cc1NC(=O)c1c(F)cccc1OC
InChIInChI=1S/C18H19FN4O5/c1-20-17(26)10-9-21-14(23-15(25)6-7-24)8-12(10)22-18(27)16-11(19)4-3-5-13(16)28-2/h3-5,8-9,24H,6-7H2,1-2H3,(H,20,26)(H2,21,22,23,25,27)
InChIKeyYTZVLVPEADFULT-UHFFFAOYSA-N
MW390.37 g/mol
LogP1.16
Rot. Bonds7

About 4-[(2-fluoro-6-methoxybenzoyl)amino]-6-(3-hydroxypropanoylamino)-N-methylpyridine-3-carboxamide

4-[(2-fluoro-6-methoxybenzoyl)amino]-6-(3-hydroxypropanoylamino)-N-methylpyridine-3-carboxamide (PubChem CID 156880966) has the molecular formula C18H19FN4O5 and a molecular weight of 390.37 g/mol. Its IUPAC name is 4-[(2-fluoro-6-methoxybenzoyl)amino]-6-(3-hydroxypropanoylamino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-fluoro-6-methoxybenzoyl)amino]-6-(3-hydroxypropanoylamino)-N-methylpyridine-3-carboxamide
PubChem CID156880966
Molecular FormulaC18H19FN4O5
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name4-[(2-fluoro-6-methoxybenzoyl)amino]-6-(3-hydroxypropanoylamino)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)CCO)cc1NC(=O)c1c(F)cccc1OC
InChIInChI=1S/C18H19FN4O5/c1-20-17(26)10-9-21-14(23-15(25)6-7-24)8-12(10)22-18(27)16-11(19)4-3-5-13(16)28-2/h3-5,8-9,24H,6-7H2,1-2H3,(H,20,26)(H2,21,22,23,25,27)
InChIKeyYTZVLVPEADFULT-UHFFFAOYSA-N
XLogP1.16
TPSA129.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-fluoro-6-methoxybenzoyl)amino]-6-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-N-methylpyridine-3-carboxamide
CID 156880816
2-fluoro-N-(4-fluoro-2-iodophenyl)-6-methoxybenzamide
CID 79766807
N-(2-chloro-3-pyridinyl)-2-fluoro-6-methoxybenzamide
CID 113265347
6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(5-fluoro-2-methoxybenzoyl)amino]-N-methylpyridine-3-carboxamide
CID 156880977
N-(2-bromo-5-fluorophenyl)-2-fluoro-6-methoxybenzamide
CID 103756076
N-(2-bromophenyl)-2-fluoro-6-methoxybenzamide
CID 65432090
N-(4-bromo-2-ethylphenyl)-2-fluoro-6-methoxybenzamide
CID 81287800
N-[6-[2-(2-hydroxyethoxy)ethylamino]-3-pyridinyl]-2,6-dimethoxybenzamide
CID 28901488
N-(2-chloro-4-hydroxyphenyl)-2-fluoro-6-methoxybenzamide
CID 65434031
N-(2-bromo-5-chlorophenyl)-2-fluoro-6-methoxybenzamide
CID 81272722
N-(4-bromo-2-methylphenyl)-2-fluoro-6-methoxybenzamide
CID 65434983
6-(hexanoylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide
CID 170739317

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-6-methoxybenzoyl)amino]-6-(3-hydroxypropanoylamino)-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-[(2-fluoro-6-methoxybenzoyl)amino]-6-(3-hydroxypropanoylamino)-N-methylpyridine-3-carboxamide (CID 156880966) is 4-[(2-fluoro-6-methoxybenzoyl)amino]-6-(3-hydroxypropanoylamino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-[(2-fluoro-6-methoxybenzoyl)amino]-6-(3-hydroxypropanoylamino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-[(2-fluoro-6-methoxybenzoyl)amino]-6-(3-hydroxypropanoylamino)-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(NC(=O)CCO)cc1NC(=O)c1c(F)cccc1OC.
What is the InChIKey of 4-[(2-fluoro-6-methoxybenzoyl)amino]-6-(3-hydroxypropanoylamino)-N-methylpyridine-3-carboxamide?
The InChIKey is YTZVLVPEADFULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O5/c1-20-17(26)10-9-21-14(23-15(25)6-7-24)8-12(10)22-18(27)16-11(19)4-3-5-13(16)28-2/h3-5,8-9,24H,6-7H2,1-2H3,(H,20,26)(H2,21,22,23,25,27).
What are the key properties of 4-[(2-fluoro-6-methoxybenzoyl)amino]-6-(3-hydroxypropanoylamino)-N-methylpyridine-3-carboxamide?
4-[(2-fluoro-6-methoxybenzoyl)amino]-6-(3-hydroxypropanoylamino)-N-methylpyridine-3-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 1.16, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-6-methoxybenzoyl)amino]-6-(3-hydroxypropanoylamino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 156880966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).