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

C12H16BrClN4O — CID 118407961

IUPAC1-(3-bromo-5-chloro-4-pyridinyl)-4-(methylamino)piperidine-4-carboxamide
SMILESCNC1(C(N)=O)CCN(c2c(Cl)cncc2Br)CC1
InChIInChI=1S/C12H16BrClN4O/c1-16-12(11(15)19)2-4-18(5-3-12)10-8(13)6-17-7-9(10)14/h6-7,16H,2-5H2,1H3,(H2,15,19)
InChIKeyVKDXVLBGJCBLCJ-UHFFFAOYSA-N
MW347.64 g/mol
LogP1.54
Rot. Bonds3

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

1-(3-bromo-5-chloro-4-pyridinyl)-4-(methylamino)piperidine-4-carboxamide (PubChem CID 118407961) has the molecular formula C12H16BrClN4O and a molecular weight of 347.64 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-4-pyridinyl)-4-(methylamino)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-4-pyridinyl)-4-(methylamino)piperidine-4-carboxamide
PubChem CID118407961
Molecular FormulaC12H16BrClN4O
Molecular Weight347.64 g/mol
Exact Mass346.02
IUPAC Name1-(3-bromo-5-chloro-4-pyridinyl)-4-(methylamino)piperidine-4-carboxamide
SMILESCNC1(C(N)=O)CCN(c2c(Cl)cncc2Br)CC1
InChIInChI=1S/C12H16BrClN4O/c1-16-12(11(15)19)2-4-18(5-3-12)10-8(13)6-17-7-9(10)14/h6-7,16H,2-5H2,1H3,(H2,15,19)
InChIKeyVKDXVLBGJCBLCJ-UHFFFAOYSA-N
XLogP1.54
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.64
LogP ≤ 51.54
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-dichloro-4-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 45274904
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
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
1-(3-Bromo-5-chloropyridin-4-yl)piperidine-4-carboxamide
CID 45274281
N-(2-aminoethyl)-1-(3,5-dichloropyridin-4-yl)piperidine-4-carboxamide
CID 45275021
N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(3,5-dichloro-4-pyridinyl)piperidine-4-carboxamide
CID 45275132

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-4-pyridinyl)-4-(methylamino)piperidine-4-carboxamide?
The IUPAC name of 1-(3-bromo-5-chloro-4-pyridinyl)-4-(methylamino)piperidine-4-carboxamide (CID 118407961) is 1-(3-bromo-5-chloro-4-pyridinyl)-4-(methylamino)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-bromo-5-chloro-4-pyridinyl)-4-(methylamino)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-bromo-5-chloro-4-pyridinyl)-4-(methylamino)piperidine-4-carboxamide is CNC1(C(N)=O)CCN(c2c(Cl)cncc2Br)CC1.
What is the InChIKey of 1-(3-bromo-5-chloro-4-pyridinyl)-4-(methylamino)piperidine-4-carboxamide?
The InChIKey is VKDXVLBGJCBLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN4O/c1-16-12(11(15)19)2-4-18(5-3-12)10-8(13)6-17-7-9(10)14/h6-7,16H,2-5H2,1H3,(H2,15,19).
What are the key properties of 1-(3-bromo-5-chloro-4-pyridinyl)-4-(methylamino)piperidine-4-carboxamide?
1-(3-bromo-5-chloro-4-pyridinyl)-4-(methylamino)piperidine-4-carboxamide has a molecular weight of 347.64 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-4-pyridinyl)-4-(methylamino)piperidine-4-carboxamide is sourced from PubChem (CID 118407961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).