1-(cyclopropylmethyl)-4-[3-fluoro-4-(oxan-4-ylamino)phenyl]pyridin-2-one

C20H23FN2O2 — CID 141310331

IUPAC1-(cyclopropylmethyl)-4-[3-fluoro-4-(oxan-4-ylamino)phenyl]pyridin-2-one
SMILESO=c1cc(-c2ccc(NC3CCOCC3)c(F)c2)ccn1CC1CC1
InChIInChI=1S/C20H23FN2O2/c21-18-11-15(3-4-19(18)22-17-6-9-25-10-7-17)16-5-8-23(20(24)12-16)13-14-1-2-14/h3-5,8,11-12,14,17,22H,1-2,6-7,9-10,13H2
InChIKeyOIAIGADUNUJRMB-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.66
Rot. Bonds5

About 1-(cyclopropylmethyl)-4-[3-fluoro-4-(oxan-4-ylamino)phenyl]pyridin-2-one

1-(cyclopropylmethyl)-4-[3-fluoro-4-(oxan-4-ylamino)phenyl]pyridin-2-one (PubChem CID 141310331) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[3-fluoro-4-(oxan-4-ylamino)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[3-fluoro-4-(oxan-4-ylamino)phenyl]pyridin-2-one
PubChem CID141310331
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name1-(cyclopropylmethyl)-4-[3-fluoro-4-(oxan-4-ylamino)phenyl]pyridin-2-one
SMILESO=c1cc(-c2ccc(NC3CCOCC3)c(F)c2)ccn1CC1CC1
InChIInChI=1S/C20H23FN2O2/c21-18-11-15(3-4-19(18)22-17-6-9-25-10-7-17)16-5-8-23(20(24)12-16)13-14-1-2-14/h3-5,8,11-12,14,17,22H,1-2,6-7,9-10,13H2
InChIKeyOIAIGADUNUJRMB-UHFFFAOYSA-N
XLogP3.66
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethyl)-4-(morpholin-4-ylmethyl)pyridin-2-one
CID 53191827
1-(2-cyclopropylethyl)-4-[4-(oxan-4-ylamino)-3-(trifluoromethyl)phenyl]-2-oxopyridine-3-carbonitrile
CID 25004354
N-(2-fluorophenyl)oxan-4-amine
CID 43608428
4-[3-chloro-4-(oxan-4-ylamino)phenyl]-1-(2-cyclopropylethyl)-2-oxopyridine-3-carbonitrile
CID 25004353
2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine
CID 80716587
4-fluoro-1-(piperidin-4-ylmethyl)pyridin-2-one
CID 90038622
3-fluoro-4-(oxan-4-ylamino)benzenecarbothioamide
CID 43657973
4-amino-1-(cyclopropylmethyl)pyridin-2-one;hydrochloride
CID 155822557
1-[(3-chloro-4-fluorophenyl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one;1-[(4-chloro-3-fluorophenyl)methyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 158548426
N-(2,3,5-trifluorophenyl)oxan-4-amine
CID 62810329
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]oxan-4-amine
CID 54864011
N-(2,5-difluorophenyl)oxepan-4-amine
CID 65076714

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[3-fluoro-4-(oxan-4-ylamino)phenyl]pyridin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-4-[3-fluoro-4-(oxan-4-ylamino)phenyl]pyridin-2-one (CID 141310331) is 1-(cyclopropylmethyl)-4-[3-fluoro-4-(oxan-4-ylamino)phenyl]pyridin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[3-fluoro-4-(oxan-4-ylamino)phenyl]pyridin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[3-fluoro-4-(oxan-4-ylamino)phenyl]pyridin-2-one is O=c1cc(-c2ccc(NC3CCOCC3)c(F)c2)ccn1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[3-fluoro-4-(oxan-4-ylamino)phenyl]pyridin-2-one?
The InChIKey is OIAIGADUNUJRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-18-11-15(3-4-19(18)22-17-6-9-25-10-7-17)16-5-8-23(20(24)12-16)13-14-1-2-14/h3-5,8,11-12,14,17,22H,1-2,6-7,9-10,13H2.
What are the key properties of 1-(cyclopropylmethyl)-4-[3-fluoro-4-(oxan-4-ylamino)phenyl]pyridin-2-one?
1-(cyclopropylmethyl)-4-[3-fluoro-4-(oxan-4-ylamino)phenyl]pyridin-2-one has a molecular weight of 342.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[3-fluoro-4-(oxan-4-ylamino)phenyl]pyridin-2-one is sourced from PubChem (CID 141310331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).