(3R)-N-[(3-bromophenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide

C21H22BrN5O2 — CID 92889225

IUPAC(3R)-N-[(3-bromophenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
SMILESCn1c(=O)c(N2CCC[C@@H](C(=O)NCc3cccc(Br)c3)C2)nc2cccnc21
InChIInChI=1S/C21H22BrN5O2/c1-26-18-17(8-3-9-23-18)25-19(21(26)29)27-10-4-6-15(13-27)20(28)24-12-14-5-2-7-16(22)11-14/h2-3,5,7-9,11,15H,4,6,10,12-13H2,1H3,(H,24,28)/t15-/m1/s1
InChIKeyQJSQKQKYUVKCDC-OAHLLOKOSA-N
MW456.34 g/mol
LogP2.62
Rot. Bonds4

About (3R)-N-[(3-bromophenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide

(3R)-N-[(3-bromophenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide (PubChem CID 92889225) has the molecular formula C21H22BrN5O2 and a molecular weight of 456.34 g/mol. Its IUPAC name is (3R)-N-[(3-bromophenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3-bromophenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
PubChem CID92889225
Molecular FormulaC21H22BrN5O2
Molecular Weight456.34 g/mol
Exact Mass455.10
IUPAC Name(3R)-N-[(3-bromophenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
SMILESCn1c(=O)c(N2CCC[C@@H](C(=O)NCc3cccc(Br)c3)C2)nc2cccnc21
InChIInChI=1S/C21H22BrN5O2/c1-26-18-17(8-3-9-23-18)25-19(21(26)29)27-10-4-6-15(13-27)20(28)24-12-14-5-2-7-16(22)11-14/h2-3,5,7-9,11,15H,4,6,10,12-13H2,1H3,(H,24,28)/t15-/m1/s1
InChIKeyQJSQKQKYUVKCDC-OAHLLOKOSA-N
XLogP2.62
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-(furan-2-ylmethyl)-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
CID 92869777
N-[(3-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
CID 50781083
(3S)-N-[(3-bromophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95056440
1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 50781580
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 50781424
1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 50781257
(3S)-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 92889206
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
CID 46324916
N-[2-(1H-indol-3-yl)ethyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
CID 50781586
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 50781390
N-[(2-chlorophenyl)methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 46259573
N-(3-methylphenyl)-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 50781641

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3-bromophenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(3-bromophenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide (CID 92889225) is (3R)-N-[(3-bromophenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(3-bromophenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(3-bromophenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide is Cn1c(=O)c(N2CCC[C@@H](C(=O)NCc3cccc(Br)c3)C2)nc2cccnc21.
What is the InChIKey of (3R)-N-[(3-bromophenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide?
The InChIKey is QJSQKQKYUVKCDC-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22BrN5O2/c1-26-18-17(8-3-9-23-18)25-19(21(26)29)27-10-4-6-15(13-27)20(28)24-12-14-5-2-7-16(22)11-14/h2-3,5,7-9,11,15H,4,6,10,12-13H2,1H3,(H,24,28)/t15-/m1/s1.
What are the key properties of (3R)-N-[(3-bromophenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide?
(3R)-N-[(3-bromophenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide has a molecular weight of 456.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3-bromophenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92889225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).