(3S)-N-(3-methoxypropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide

C17H23N5O2 — CID 95100846

IUPAC(3S)-N-(3-methoxypropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
SMILESCOCCCNC(=O)[C@H]1CCCN(c2cnc3nccnc3c2)C1
InChIInChI=1S/C17H23N5O2/c1-24-9-3-5-20-17(23)13-4-2-8-22(12-13)14-10-15-16(21-11-14)19-7-6-18-15/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyGIAJAQRWQNDATR-ZDUSSCGKSA-N
MW329.40 g/mol
LogP1.39
Rot. Bonds6

About (3S)-N-(3-methoxypropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide

(3S)-N-(3-methoxypropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide (PubChem CID 95100846) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3S)-N-(3-methoxypropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-methoxypropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
PubChem CID95100846
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(3S)-N-(3-methoxypropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
SMILESCOCCCNC(=O)[C@H]1CCCN(c2cnc3nccnc3c2)C1
InChIInChI=1S/C17H23N5O2/c1-24-9-3-5-20-17(23)13-4-2-8-22(12-13)14-10-15-16(21-11-14)19-7-6-18-15/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyGIAJAQRWQNDATR-ZDUSSCGKSA-N
XLogP1.39
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839376
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 95100843
N-[(3-methoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839369
N-[(2-ethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71830326
N-[(3-ethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839339
(3S)-1-pyrido[2,3-b]pyrazin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 97416422
N-(4-ethoxyphenyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839397
(3R)-N-(3-methoxypropyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 97265102
(3R)-N-(3-methoxypropyl)-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085563
N-(3-methoxypropyl)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 46392307
(3S)-1-(6-chloropyridazin-3-yl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 51983369
(3R)-N-(2-methoxyethyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115370

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-methoxypropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-methoxypropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide (CID 95100846) is (3S)-N-(3-methoxypropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-methoxypropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-methoxypropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide is COCCCNC(=O)[C@H]1CCCN(c2cnc3nccnc3c2)C1.
What is the InChIKey of (3S)-N-(3-methoxypropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide?
The InChIKey is GIAJAQRWQNDATR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-24-9-3-5-20-17(23)13-4-2-8-22(12-13)14-10-15-16(21-11-14)19-7-6-18-15/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,20,23)/t13-/m0/s1.
What are the key properties of (3S)-N-(3-methoxypropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide?
(3S)-N-(3-methoxypropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-methoxypropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide is sourced from PubChem (CID 95100846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).