(2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide

C19H22FN3O2 — CID 124619097

IUPAC(2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCCCC[C@@H]2c2ccncc2)ccc1F
InChIInChI=1S/C19H22FN3O2/c1-25-18-13-15(6-7-16(18)20)22-19(24)23-12-4-2-3-5-17(23)14-8-10-21-11-9-14/h6-11,13,17H,2-5,12H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyMVZTZHDTFQQFSG-QGZVFWFLSA-N
MW343.40 g/mol
LogP4.38
Rot. Bonds3

About (2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide

(2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide (PubChem CID 124619097) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is (2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide
PubChem CID124619097
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name(2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCCCC[C@@H]2c2ccncc2)ccc1F
InChIInChI=1S/C19H22FN3O2/c1-25-18-13-15(6-7-16(18)20)22-19(24)23-12-4-2-3-5-17(23)14-8-10-21-11-9-14/h6-11,13,17H,2-5,12H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyMVZTZHDTFQQFSG-QGZVFWFLSA-N
XLogP4.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)azepane-1-carboxamide
CID 93076688
(2R)-1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104979945
N-(4-fluoro-3-methoxyphenyl)azepane-1-carboxamide
CID 114839187
(2S)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94661719
(2R)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94661720
(2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51856174
(2S)-N-(4-fluoro-2-methylphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94078516
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
(2S)-N-(6-methoxypyridazin-3-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 99794040
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 94796932
methyl 4-fluoro-3-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate
CID 86994028
2-[1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 114840396

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide?
The IUPAC name of (2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide (CID 124619097) is (2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide.
What is the SMILES notation for (2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide?
The canonical SMILES for (2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide is COc1cc(NC(=O)N2CCCCC[C@@H]2c2ccncc2)ccc1F.
What is the InChIKey of (2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide?
The InChIKey is MVZTZHDTFQQFSG-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-25-18-13-15(6-7-16(18)20)22-19(24)23-12-4-2-3-5-17(23)14-8-10-21-11-9-14/h6-11,13,17H,2-5,12H2,1H3,(H,22,24)/t17-/m1/s1.
What are the key properties of (2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide?
(2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide is sourced from PubChem (CID 124619097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).