3-(2-fluoro-4-methylanilino)-N-[3-(hydroxymethyl)heptan-3-yl]pyridine-4-carboxamide

C21H28FN3O2 — CID 143220470

IUPAC3-(2-fluoro-4-methylanilino)-N-[3-(hydroxymethyl)heptan-3-yl]pyridine-4-carboxamide
SMILESCCCCC(CC)(CO)NC(=O)c1ccncc1Nc1ccc(C)cc1F
InChIInChI=1S/C21H28FN3O2/c1-4-6-10-21(5-2,14-26)25-20(27)16-9-11-23-13-19(16)24-18-8-7-15(3)12-17(18)22/h7-9,11-13,24,26H,4-6,10,14H2,1-3H3,(H,25,27)
InChIKeyMIWCSONPDPCSGB-UHFFFAOYSA-N
MW373.47 g/mol
LogP4.33
Rot. Bonds9

About 3-(2-fluoro-4-methylanilino)-N-[3-(hydroxymethyl)heptan-3-yl]pyridine-4-carboxamide

3-(2-fluoro-4-methylanilino)-N-[3-(hydroxymethyl)heptan-3-yl]pyridine-4-carboxamide (PubChem CID 143220470) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylanilino)-N-[3-(hydroxymethyl)heptan-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(2-fluoro-4-methylanilino)-N-[3-(hydroxymethyl)heptan-3-yl]pyridine-4-carboxamide
PubChem CID143220470
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC Name3-(2-fluoro-4-methylanilino)-N-[3-(hydroxymethyl)heptan-3-yl]pyridine-4-carboxamide
SMILESCCCCC(CC)(CO)NC(=O)c1ccncc1Nc1ccc(C)cc1F
InChIInChI=1S/C21H28FN3O2/c1-4-6-10-21(5-2,14-26)25-20(27)16-9-11-23-13-19(16)24-18-8-7-15(3)12-17(18)22/h7-9,11-13,24,26H,4-6,10,14H2,1-3H3,(H,25,27)
InChIKeyMIWCSONPDPCSGB-UHFFFAOYSA-N
XLogP4.33
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluoro-4-methylanilino)pyridine-4-carbohydrazide
CID 143220406
3-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
CID 143220427
4-[ethyl(methyl)phosphoryl]-N-(2-fluoro-4-methylphenyl)pyridin-3-amine
CID 169174690
3-(4-ethyl-2-fluoroanilino)-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 130376218
3-(2-fluoro-4-iodoanilino)-N'-(4-methylphenyl)pyridine-4-carbohydrazide
CID 11532734
4-diethylphosphanyl-N-(2-fluoro-4-methylphenyl)pyridin-3-amine
CID 169174678
2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
CID 64557392
N-[3-(hydroxymethyl)pentan-3-yl]-5-methyl-2-nitrobenzamide
CID 65463249
3-amino-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
CID 105070428
ethyl 2-amino-2-[[3-(2-fluoro-4-iodoanilino)pyridine-4-carbonyl]hydrazinylidene]acetate
CID 68852573
2-bromo-5-(2-fluoro-4-methylanilino)-N-propoxypyridine-4-carboxamide
CID 143220419
ethane;3-(2-fluoro-4-methylanilino)pyridine-4-carbonitrile
CID 176938978

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylanilino)-N-[3-(hydroxymethyl)heptan-3-yl]pyridine-4-carboxamide?
The IUPAC name of 3-(2-fluoro-4-methylanilino)-N-[3-(hydroxymethyl)heptan-3-yl]pyridine-4-carboxamide (CID 143220470) is 3-(2-fluoro-4-methylanilino)-N-[3-(hydroxymethyl)heptan-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-(2-fluoro-4-methylanilino)-N-[3-(hydroxymethyl)heptan-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-(2-fluoro-4-methylanilino)-N-[3-(hydroxymethyl)heptan-3-yl]pyridine-4-carboxamide is CCCCC(CC)(CO)NC(=O)c1ccncc1Nc1ccc(C)cc1F.
What is the InChIKey of 3-(2-fluoro-4-methylanilino)-N-[3-(hydroxymethyl)heptan-3-yl]pyridine-4-carboxamide?
The InChIKey is MIWCSONPDPCSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2/c1-4-6-10-21(5-2,14-26)25-20(27)16-9-11-23-13-19(16)24-18-8-7-15(3)12-17(18)22/h7-9,11-13,24,26H,4-6,10,14H2,1-3H3,(H,25,27).
What are the key properties of 3-(2-fluoro-4-methylanilino)-N-[3-(hydroxymethyl)heptan-3-yl]pyridine-4-carboxamide?
3-(2-fluoro-4-methylanilino)-N-[3-(hydroxymethyl)heptan-3-yl]pyridine-4-carboxamide has a molecular weight of 373.47 g/mol, XLogP of 4.33, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylanilino)-N-[3-(hydroxymethyl)heptan-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 143220470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).