(3S)-1-pyrido[2,3-b]pyrazin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

C18H19N5OS — CID 97416422

IUPAC(3S)-1-pyrido[2,3-b]pyrazin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccs1)[C@H]1CCCN(c2cnc3nccnc3c2)C1
InChIInChI=1S/C18H19N5OS/c24-18(22-11-15-4-2-8-25-15)13-3-1-7-23(12-13)14-9-16-17(21-10-14)20-6-5-19-16/h2,4-6,8-10,13H,1,3,7,11-12H2,(H,22,24)/t13-/m0/s1
InChIKeyBCBDQAWAJNHPHY-ZDUSSCGKSA-N
MW353.45 g/mol
LogP2.62
Rot. Bonds4

About (3S)-1-pyrido[2,3-b]pyrazin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

(3S)-1-pyrido[2,3-b]pyrazin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 97416422) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is (3S)-1-pyrido[2,3-b]pyrazin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-pyrido[2,3-b]pyrazin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID97416422
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name(3S)-1-pyrido[2,3-b]pyrazin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccs1)[C@H]1CCCN(c2cnc3nccnc3c2)C1
InChIInChI=1S/C18H19N5OS/c24-18(22-11-15-4-2-8-25-15)13-3-1-7-23(12-13)14-9-16-17(21-10-14)20-6-5-19-16/h2,4-6,8-10,13H,1,3,7,11-12H2,(H,22,24)/t13-/m0/s1
InChIKeyBCBDQAWAJNHPHY-ZDUSSCGKSA-N
XLogP2.62
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 95100975
1-(1-methyl-6-oxopyridazin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 53203951
1-pyrido[2,3-b]pyrazin-7-yl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 53165945
N-[(2-ethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71830326
N-[(3-methoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839369
N-(2-methylpropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839376
N-[(3-ethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839339
(3S)-1-(6-chloropyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 51983817
(3R)-1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 95369261
(3S)-N-(3-methoxypropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 95100846
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 95100843
1-(1-ethylbenzimidazol-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 46959589

Frequently Asked Questions

What is the IUPAC name of (3S)-1-pyrido[2,3-b]pyrazin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-pyrido[2,3-b]pyrazin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 97416422) is (3S)-1-pyrido[2,3-b]pyrazin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-pyrido[2,3-b]pyrazin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-pyrido[2,3-b]pyrazin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1cccs1)[C@H]1CCCN(c2cnc3nccnc3c2)C1.
What is the InChIKey of (3S)-1-pyrido[2,3-b]pyrazin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is BCBDQAWAJNHPHY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N5OS/c24-18(22-11-15-4-2-8-25-15)13-3-1-7-23(12-13)14-9-16-17(21-10-14)20-6-5-19-16/h2,4-6,8-10,13H,1,3,7,11-12H2,(H,22,24)/t13-/m0/s1.
What are the key properties of (3S)-1-pyrido[2,3-b]pyrazin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
(3S)-1-pyrido[2,3-b]pyrazin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 353.45 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 (3S)-1-pyrido[2,3-b]pyrazin-7-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 97416422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).