N-(5-fluoro-2-pyridinyl)-4-[(2S)-2-methoxypropoxy]-6-methylpyridine-2-carboxamide

C16H18FN3O3 — CID 118613122

IUPACN-(5-fluoro-2-pyridinyl)-4-[(2S)-2-methoxypropoxy]-6-methylpyridine-2-carboxamide
SMILESCO[C@@H](C)COc1cc(C)nc(C(=O)Nc2ccc(F)cn2)c1
InChIInChI=1S/C16H18FN3O3/c1-10-6-13(23-9-11(2)22-3)7-14(19-10)16(21)20-15-5-4-12(17)8-18-15/h4-8,11H,9H2,1-3H3,(H,18,20,21)/t11-/m0/s1
InChIKeyQCKLPWOGQSJDAO-NSHDSACASA-N
MW319.34 g/mol
LogP2.59
Rot. Bonds6

About N-(5-fluoro-2-pyridinyl)-4-[(2S)-2-methoxypropoxy]-6-methylpyridine-2-carboxamide

N-(5-fluoro-2-pyridinyl)-4-[(2S)-2-methoxypropoxy]-6-methylpyridine-2-carboxamide (PubChem CID 118613122) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-4-[(2S)-2-methoxypropoxy]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-4-[(2S)-2-methoxypropoxy]-6-methylpyridine-2-carboxamide
PubChem CID118613122
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC NameN-(5-fluoro-2-pyridinyl)-4-[(2S)-2-methoxypropoxy]-6-methylpyridine-2-carboxamide
SMILESCO[C@@H](C)COc1cc(C)nc(C(=O)Nc2ccc(F)cn2)c1
InChIInChI=1S/C16H18FN3O3/c1-10-6-13(23-9-11(2)22-3)7-14(19-10)16(21)20-15-5-4-12(17)8-18-15/h4-8,11H,9H2,1-3H3,(H,18,20,21)/t11-/m0/s1
InChIKeyQCKLPWOGQSJDAO-NSHDSACASA-N
XLogP2.59
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-fluoro-2-pyridinyl)-6-methyl-4-(thietan-3-yloxy)pyridine-2-carboxamide
CID 118612923
N-(5-fluoro-2-pyridinyl)-6-methyl-4-(oxan-2-ylmethoxy)pyridine-2-carboxamide
CID 118612900
N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(3S,5S)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide
CID 155540022
methyl 6-[[3-hydroxy-5-[(2S)-2-methoxypropoxy]benzoyl]amino]pyridine-3-carboxylate
CID 67485037
2-bromo-N-(5-fluoro-2-pyridinyl)-5-methoxybenzamide
CID 62877597
2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103893264
[2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methylphenyl]oxidanium
CID 163865658
5-chloro-2-(ethylamino)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide
CID 114923893
methyl 2-[2-[(5-fluoro-2-pyridinyl)carbamoyl]phenoxy]acetate
CID 171703959
4-cyano-N-(5-fluoro-2-pyridinyl)-3,6-dimethylpyridine-2-carboxamide
CID 46899182
6-chloro-N-(5-fluoro-2-pyridinyl)pyridine-2-carboxamide
CID 63236254
4-bromo-N-(5-chloro-2-pyridinyl)-6-methylpyridine-2-carboxamide
CID 67164027

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-4-[(2S)-2-methoxypropoxy]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-4-[(2S)-2-methoxypropoxy]-6-methylpyridine-2-carboxamide (CID 118613122) is N-(5-fluoro-2-pyridinyl)-4-[(2S)-2-methoxypropoxy]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-4-[(2S)-2-methoxypropoxy]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-4-[(2S)-2-methoxypropoxy]-6-methylpyridine-2-carboxamide is CO[C@@H](C)COc1cc(C)nc(C(=O)Nc2ccc(F)cn2)c1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-4-[(2S)-2-methoxypropoxy]-6-methylpyridine-2-carboxamide?
The InChIKey is QCKLPWOGQSJDAO-NSHDSACASA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-10-6-13(23-9-11(2)22-3)7-14(19-10)16(21)20-15-5-4-12(17)8-18-15/h4-8,11H,9H2,1-3H3,(H,18,20,21)/t11-/m0/s1.
What are the key properties of N-(5-fluoro-2-pyridinyl)-4-[(2S)-2-methoxypropoxy]-6-methylpyridine-2-carboxamide?
N-(5-fluoro-2-pyridinyl)-4-[(2S)-2-methoxypropoxy]-6-methylpyridine-2-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-4-[(2S)-2-methoxypropoxy]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 118613122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).