N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-6-methylpyridine-3-carboxamide

C18H20FN3O2 — CID 95774376

IUPACN-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)cn1
InChIInChI=1S/C18H20FN3O2/c1-12-4-5-13(10-20-12)18(23)22-14-6-7-17(16(19)9-14)21-11-15-3-2-8-24-15/h4-7,9-10,15,21H,2-3,8,11H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyVTGPGIZDXDPPGI-HNNXBMFYSA-N
MW329.38 g/mol
LogP3.37
Rot. Bonds5

About N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-6-methylpyridine-3-carboxamide

N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-6-methylpyridine-3-carboxamide (PubChem CID 95774376) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-6-methylpyridine-3-carboxamide
PubChem CID95774376
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)cn1
InChIInChI=1S/C18H20FN3O2/c1-12-4-5-13(10-20-12)18(23)22-14-6-7-17(16(19)9-14)21-11-15-3-2-8-24-15/h4-7,9-10,15,21H,2-3,8,11H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyVTGPGIZDXDPPGI-HNNXBMFYSA-N
XLogP3.37
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-6-methylpyridine-3-carboxamide with MolForge

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Related Compounds

4-[[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119186214
2-chloro-N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-1,3-thiazole-4-carboxamide
CID 97309960
3-cyano-N-[3-fluoro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzamide
CID 95633182
N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119892357
N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 99626102
3-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-methylbutanamide;dihydrochloride
CID 120504135
1-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119892314
N-(4-chloro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252602
2-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800997
7-amino-N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]heptanamide
CID 119892317
6-methyl-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]pyridine-3-carboxamide
CID 60574803
N-[3-fluoro-4-(oxolan-2-ylmethylamino)phenyl]-3-(5-fluoro-3-pyridinyl)propanamide
CID 126768224

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-6-methylpyridine-3-carboxamide (CID 95774376) is N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(NC[C@@H]3CCCO3)c(F)c2)cn1.
What is the InChIKey of N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-6-methylpyridine-3-carboxamide?
The InChIKey is VTGPGIZDXDPPGI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-12-4-5-13(10-20-12)18(23)22-14-6-7-17(16(19)9-14)21-11-15-3-2-8-24-15/h4-7,9-10,15,21H,2-3,8,11H2,1H3,(H,22,23)/t15-/m0/s1.
What are the key properties of N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-6-methylpyridine-3-carboxamide?
N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-6-methylpyridine-3-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[[(2S)-oxolan-2-yl]methylamino]phenyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 95774376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).