4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide

C11H14BrClN4O — CID 118395108

IUPAC4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide
SMILESNC(=O)C1(N)CCN(c2c(Cl)cncc2Br)CC1
InChIInChI=1S/C11H14BrClN4O/c12-7-5-16-6-8(13)9(7)17-3-1-11(15,2-4-17)10(14)18/h5-6H,1-4,15H2,(H2,14,18)
InChIKeyNBDSMJAPOOUCBK-UHFFFAOYSA-N
MW333.62 g/mol
LogP1.28
Rot. Bonds2

About 4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide

4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide (PubChem CID 118395108) has the molecular formula C11H14BrClN4O and a molecular weight of 333.62 g/mol. Its IUPAC name is 4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide
PubChem CID118395108
Molecular FormulaC11H14BrClN4O
Molecular Weight333.62 g/mol
Exact Mass332.00
IUPAC Name4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide
SMILESNC(=O)C1(N)CCN(c2c(Cl)cncc2Br)CC1
InChIInChI=1S/C11H14BrClN4O/c12-7-5-16-6-8(13)9(7)17-3-1-11(15,2-4-17)10(14)18/h5-6H,1-4,15H2,(H2,14,18)
InChIKeyNBDSMJAPOOUCBK-UHFFFAOYSA-N
XLogP1.28
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.62
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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)piperidine-4-carboxamide
CID 45275020
8-(3-Bromo-5-chloropyridin-4-yl)-1-(trifluoromethyl)-2,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 118395032
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-fluoro-N-methylpiperidine-4-carboxamide
CID 137411448
7-(3-Bromo-5-chloropyridin-4-yl)-2,7-diazaspiro[4.5]decan-1-one
CID 91928413

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide (CID 118395108) is 4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide is NC(=O)C1(N)CCN(c2c(Cl)cncc2Br)CC1.
What is the InChIKey of 4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide?
The InChIKey is NBDSMJAPOOUCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN4O/c12-7-5-16-6-8(13)9(7)17-3-1-11(15,2-4-17)10(14)18/h5-6H,1-4,15H2,(H2,14,18).
What are the key properties of 4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide?
4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide has a molecular weight of 333.62 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-bromo-5-chloro-4-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 118395108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).