N-(4-chloro-5-fluoro-2-methoxyphenyl)-3-pyridin-3-ylpyrrolidine-1-carboxamide

C17H17ClFN3O2 — CID 136564309

IUPACN-(4-chloro-5-fluoro-2-methoxyphenyl)-3-pyridin-3-ylpyrrolidine-1-carboxamide
SMILESCOc1cc(Cl)c(F)cc1NC(=O)N1CCC(c2cccnc2)C1
InChIInChI=1S/C17H17ClFN3O2/c1-24-16-7-13(18)14(19)8-15(16)21-17(23)22-6-4-12(10-22)11-3-2-5-20-9-11/h2-3,5,7-9,12H,4,6,10H2,1H3,(H,21,23)
InChIKeyPUHDKXJJWDKGPQ-UHFFFAOYSA-N
MW349.79 g/mol
LogP3.90
Rot. Bonds3

About N-(4-chloro-5-fluoro-2-methoxyphenyl)-3-pyridin-3-ylpyrrolidine-1-carboxamide

N-(4-chloro-5-fluoro-2-methoxyphenyl)-3-pyridin-3-ylpyrrolidine-1-carboxamide (PubChem CID 136564309) has the molecular formula C17H17ClFN3O2 and a molecular weight of 349.79 g/mol. Its IUPAC name is N-(4-chloro-5-fluoro-2-methoxyphenyl)-3-pyridin-3-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-5-fluoro-2-methoxyphenyl)-3-pyridin-3-ylpyrrolidine-1-carboxamide
PubChem CID136564309
Molecular FormulaC17H17ClFN3O2
Molecular Weight349.79 g/mol
Exact Mass349.10
IUPAC NameN-(4-chloro-5-fluoro-2-methoxyphenyl)-3-pyridin-3-ylpyrrolidine-1-carboxamide
SMILESCOc1cc(Cl)c(F)cc1NC(=O)N1CCC(c2cccnc2)C1
InChIInChI=1S/C17H17ClFN3O2/c1-24-16-7-13(18)14(19)8-15(16)21-17(23)22-6-4-12(10-22)11-3-2-5-20-9-11/h2-3,5,7-9,12H,4,6,10H2,1H3,(H,21,23)
InChIKeyPUHDKXJJWDKGPQ-UHFFFAOYSA-N
XLogP3.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124618863
N-(4-fluoro-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 136526239
(3R)-3-(4-methoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 94824028
(2-fluoro-5-methylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 138002342
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108542
N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 55695606
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
N-(5-chloro-2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108510
(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
N-(4-chloro-5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 136567294
3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(5-chloro-2-methoxyphenyl)piperidine-1-carboxamide
CID 21065949
(4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 96537371

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-5-fluoro-2-methoxyphenyl)-3-pyridin-3-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(4-chloro-5-fluoro-2-methoxyphenyl)-3-pyridin-3-ylpyrrolidine-1-carboxamide (CID 136564309) is N-(4-chloro-5-fluoro-2-methoxyphenyl)-3-pyridin-3-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-5-fluoro-2-methoxyphenyl)-3-pyridin-3-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-chloro-5-fluoro-2-methoxyphenyl)-3-pyridin-3-ylpyrrolidine-1-carboxamide is COc1cc(Cl)c(F)cc1NC(=O)N1CCC(c2cccnc2)C1.
What is the InChIKey of N-(4-chloro-5-fluoro-2-methoxyphenyl)-3-pyridin-3-ylpyrrolidine-1-carboxamide?
The InChIKey is PUHDKXJJWDKGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O2/c1-24-16-7-13(18)14(19)8-15(16)21-17(23)22-6-4-12(10-22)11-3-2-5-20-9-11/h2-3,5,7-9,12H,4,6,10H2,1H3,(H,21,23).
What are the key properties of N-(4-chloro-5-fluoro-2-methoxyphenyl)-3-pyridin-3-ylpyrrolidine-1-carboxamide?
N-(4-chloro-5-fluoro-2-methoxyphenyl)-3-pyridin-3-ylpyrrolidine-1-carboxamide has a molecular weight of 349.79 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-5-fluoro-2-methoxyphenyl)-3-pyridin-3-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 136564309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).