(3S)-N-(furan-2-ylmethyl)-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide

C19H21N5O3 — CID 92869777

IUPAC(3S)-N-(furan-2-ylmethyl)-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
SMILESCn1c(=O)c(N2CCC[C@H](C(=O)NCc3ccco3)C2)nc2cccnc21
InChIInChI=1S/C19H21N5O3/c1-23-16-15(7-2-8-20-16)22-17(19(23)26)24-9-3-5-13(12-24)18(25)21-11-14-6-4-10-27-14/h2,4,6-8,10,13H,3,5,9,11-12H2,1H3,(H,21,25)/t13-/m0/s1
InChIKeyBFOUUHRPHINVSH-ZDUSSCGKSA-N
MW367.41 g/mol
LogP1.45
Rot. Bonds4

About (3S)-N-(furan-2-ylmethyl)-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide

(3S)-N-(furan-2-ylmethyl)-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide (PubChem CID 92869777) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is (3S)-N-(furan-2-ylmethyl)-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(furan-2-ylmethyl)-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
PubChem CID92869777
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name(3S)-N-(furan-2-ylmethyl)-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
SMILESCn1c(=O)c(N2CCC[C@H](C(=O)NCc3ccco3)C2)nc2cccnc21
InChIInChI=1S/C19H21N5O3/c1-23-16-15(7-2-8-20-16)22-17(19(23)26)24-9-3-5-13(12-24)18(25)21-11-14-6-4-10-27-14/h2,4,6-8,10,13H,3,5,9,11-12H2,1H3,(H,21,25)/t13-/m0/s1
InChIKeyBFOUUHRPHINVSH-ZDUSSCGKSA-N
XLogP1.45
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-N-[(3-bromophenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
CID 92889225
(3S)-N-[2-(furan-2-yl)ethyl]-1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidine-3-carboxamide
CID 92869817
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-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223399
(3R)-N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452670
N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
CID 92869716
(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-(furan-2-ylmethyl)-1-pyridin-4-ylpiperidine-3-carboxamide
CID 20973198
1-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 50781580
N-[2-(1H-indol-3-yl)ethyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide
CID 50781586
(3S)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639433
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 50781424

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(furan-2-ylmethyl)-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(furan-2-ylmethyl)-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide (CID 92869777) is (3S)-N-(furan-2-ylmethyl)-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(furan-2-ylmethyl)-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(furan-2-ylmethyl)-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide is Cn1c(=O)c(N2CCC[C@H](C(=O)NCc3ccco3)C2)nc2cccnc21.
What is the InChIKey of (3S)-N-(furan-2-ylmethyl)-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide?
The InChIKey is BFOUUHRPHINVSH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-23-16-15(7-2-8-20-16)22-17(19(23)26)24-9-3-5-13(12-24)18(25)21-11-14-6-4-10-27-14/h2,4,6-8,10,13H,3,5,9,11-12H2,1H3,(H,21,25)/t13-/m0/s1.
What are the key properties of (3S)-N-(furan-2-ylmethyl)-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide?
(3S)-N-(furan-2-ylmethyl)-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(furan-2-ylmethyl)-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92869777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).