1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoro-N-methylpiperidine-4-carboxamide

C12H14BrClFN3O — CID 137411448

IUPAC1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoro-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1(F)CCN(c2c(Cl)cncc2Br)CC1
InChIInChI=1S/C12H14BrClFN3O/c1-16-11(19)12(15)2-4-18(5-3-12)10-8(13)6-17-7-9(10)14/h6-7H,2-5H2,1H3,(H,16,19)
InChIKeyAQMVFKCVYQCLHK-UHFFFAOYSA-N
MW350.62 g/mol
LogP2.55
Rot. Bonds2

About 1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoro-N-methylpiperidine-4-carboxamide

1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoro-N-methylpiperidine-4-carboxamide (PubChem CID 137411448) has the molecular formula C12H14BrClFN3O and a molecular weight of 350.62 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoro-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoro-N-methylpiperidine-4-carboxamide
PubChem CID137411448
Molecular FormulaC12H14BrClFN3O
Molecular Weight350.62 g/mol
Exact Mass349.00
IUPAC Name1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoro-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1(F)CCN(c2c(Cl)cncc2Br)CC1
InChIInChI=1S/C12H14BrClFN3O/c1-16-11(19)12(15)2-4-18(5-3-12)10-8(13)6-17-7-9(10)14/h6-7H,2-5H2,1H3,(H,16,19)
InChIKeyAQMVFKCVYQCLHK-UHFFFAOYSA-N
XLogP2.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.62
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-Dichloropyridin-4-yl)piperidine-4-carboxamide
CID 2811640
1-(3,5-Dibromopyridin-4-yl)piperidine-4-carboxamide
CID 45275245
1-(3,5-dichloro-4-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 45274904
1-(3,5-dichloropyridin-4-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 45274905
1-(3-chloropyridin-4-yl)-N-ethylpiperidine-4-carboxamide
CID 71977834
8-(3-Bromo-5-chloropyridin-4-yl)-1-(trifluoromethyl)-2,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 118395032
8-(3-Bromo-5-fluoro-4-pyridinyl)-2,8-diazaspiro[4.5]decan-1-one
CID 118408019
1-(3-Bromo-5-chloro-4-pyridinyl)-4-fluoropiperidine-4-carboxamide
CID 118408029
8-(3-Bromo-5-chloropyridin-4-yl)-3-(trifluoromethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 118408094
(3R)-8-(3-bromo-5-chloropyridin-4-yl)-3-(trifluoromethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 118408101
(3S)-8-(3-bromo-5-chloropyridin-4-yl)-3-(trifluoromethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 129037606
1-(3-Bromo-5-chloro-4-pyridinyl)-4-[3,3-difluoro-2-(methylamino)propyl]piperidine-4-carbaldehyde
CID 137411410

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoro-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoro-N-methylpiperidine-4-carboxamide (CID 137411448) is 1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoro-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoro-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoro-N-methylpiperidine-4-carboxamide is CNC(=O)C1(F)CCN(c2c(Cl)cncc2Br)CC1.
What is the InChIKey of 1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoro-N-methylpiperidine-4-carboxamide?
The InChIKey is AQMVFKCVYQCLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClFN3O/c1-16-11(19)12(15)2-4-18(5-3-12)10-8(13)6-17-7-9(10)14/h6-7H,2-5H2,1H3,(H,16,19).
What are the key properties of 1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoro-N-methylpiperidine-4-carboxamide?
1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoro-N-methylpiperidine-4-carboxamide has a molecular weight of 350.62 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-4-pyridinyl)-4-fluoro-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 137411448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).