N-[(1S)-1-[4-(3-fluorophenyl)-3-methoxyphenyl]ethyl]pyridine-3-carboxamide

C21H19FN2O2 — CID 140571963

IUPACN-[(1S)-1-[4-(3-fluorophenyl)-3-methoxyphenyl]ethyl]pyridine-3-carboxamide
SMILESCOc1cc([C@H](C)NC(=O)c2cccnc2)ccc1-c1cccc(F)c1
InChIInChI=1S/C21H19FN2O2/c1-14(24-21(25)17-6-4-10-23-13-17)15-8-9-19(20(12-15)26-2)16-5-3-7-18(22)11-16/h3-14H,1-2H3,(H,24,25)/t14-/m0/s1
InChIKeyRBSBGPYULAZLJM-AWEZNQCLSA-N
MW350.39 g/mol
LogP4.39
Rot. Bonds5

About N-[(1S)-1-[4-(3-fluorophenyl)-3-methoxyphenyl]ethyl]pyridine-3-carboxamide

N-[(1S)-1-[4-(3-fluorophenyl)-3-methoxyphenyl]ethyl]pyridine-3-carboxamide (PubChem CID 140571963) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is N-[(1S)-1-[4-(3-fluorophenyl)-3-methoxyphenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(3-fluorophenyl)-3-methoxyphenyl]ethyl]pyridine-3-carboxamide
PubChem CID140571963
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC NameN-[(1S)-1-[4-(3-fluorophenyl)-3-methoxyphenyl]ethyl]pyridine-3-carboxamide
SMILESCOc1cc([C@H](C)NC(=O)c2cccnc2)ccc1-c1cccc(F)c1
InChIInChI=1S/C21H19FN2O2/c1-14(24-21(25)17-6-4-10-23-13-17)15-8-9-19(20(12-15)26-2)16-5-3-7-18(22)11-16/h3-14H,1-2H3,(H,24,25)/t14-/m0/s1
InChIKeyRBSBGPYULAZLJM-AWEZNQCLSA-N
XLogP4.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,5-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 140591732
N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]pyridine-3-carboxamide
CID 95935601
N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 4126174
N-[(1S)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 100899430
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831
3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 18163096
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 47063190
N-[3-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 51940025
ethyl 2-[4-[1-[(3-fluorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate
CID 42959966
4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 18162974
N-[3-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 51939972

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(3-fluorophenyl)-3-methoxyphenyl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-[4-(3-fluorophenyl)-3-methoxyphenyl]ethyl]pyridine-3-carboxamide (CID 140571963) is N-[(1S)-1-[4-(3-fluorophenyl)-3-methoxyphenyl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-[4-(3-fluorophenyl)-3-methoxyphenyl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-[4-(3-fluorophenyl)-3-methoxyphenyl]ethyl]pyridine-3-carboxamide is COc1cc([C@H](C)NC(=O)c2cccnc2)ccc1-c1cccc(F)c1.
What is the InChIKey of N-[(1S)-1-[4-(3-fluorophenyl)-3-methoxyphenyl]ethyl]pyridine-3-carboxamide?
The InChIKey is RBSBGPYULAZLJM-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H19FN2O2/c1-14(24-21(25)17-6-4-10-23-13-17)15-8-9-19(20(12-15)26-2)16-5-3-7-18(22)11-16/h3-14H,1-2H3,(H,24,25)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(3-fluorophenyl)-3-methoxyphenyl]ethyl]pyridine-3-carboxamide?
N-[(1S)-1-[4-(3-fluorophenyl)-3-methoxyphenyl]ethyl]pyridine-3-carboxamide has a molecular weight of 350.39 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(3-fluorophenyl)-3-methoxyphenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 140571963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).