N-[(1R,2R,5S)-2-hydroxy-5-[5-(methoxymethyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]cyclohexyl]pyrazine-2-carboxamide

C20H23N7O3 — CID 171158986

IUPACN-[(1R,2R,5S)-2-hydroxy-5-[5-(methoxymethyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]cyclohexyl]pyrazine-2-carboxamide
SMILESCOCc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)n(-c2cccnc2)n1
InChIInChI=1S/C20H23N7O3/c1-30-12-18-25-19(27(26-18)14-3-2-6-21-10-14)13-4-5-17(28)15(9-13)24-20(29)16-11-22-7-8-23-16/h2-3,6-8,10-11,13,15,17,28H,4-5,9,12H2,1H3,(H,24,29)/t13-,15+,17+/m0/s1
InChIKeyASCFDEXIZISNLG-YSVLISHTSA-N
MW409.45 g/mol
LogP1.03
Rot. Bonds6

About N-[(1R,2R,5S)-2-hydroxy-5-[5-(methoxymethyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]cyclohexyl]pyrazine-2-carboxamide

N-[(1R,2R,5S)-2-hydroxy-5-[5-(methoxymethyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]cyclohexyl]pyrazine-2-carboxamide (PubChem CID 171158986) has the molecular formula C20H23N7O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[(1R,2R,5S)-2-hydroxy-5-[5-(methoxymethyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]cyclohexyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,5S)-2-hydroxy-5-[5-(methoxymethyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]cyclohexyl]pyrazine-2-carboxamide
PubChem CID171158986
Molecular FormulaC20H23N7O3
Molecular Weight409.45 g/mol
Exact Mass409.19
IUPAC NameN-[(1R,2R,5S)-2-hydroxy-5-[5-(methoxymethyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]cyclohexyl]pyrazine-2-carboxamide
SMILESCOCc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)n(-c2cccnc2)n1
InChIInChI=1S/C20H23N7O3/c1-30-12-18-25-19(27(26-18)14-3-2-6-21-10-14)13-4-5-17(28)15(9-13)24-20(29)16-11-22-7-8-23-16/h2-3,6-8,10-11,13,15,17,28H,4-5,9,12H2,1H3,(H,24,29)/t13-,15+,17+/m0/s1
InChIKeyASCFDEXIZISNLG-YSVLISHTSA-N
XLogP1.03
TPSA127.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(1R,2R,5S)-2-hydroxy-5-[5-(methoxymethyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]cyclohexyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-[(1R,2R,5S)-2-hydroxy-5-[5-(methoxymethyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]cyclohexyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 171158983
(1R,2R,4S)-2-(cyclobutylamino)-4-[5-(methoxymethyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]cyclohexan-1-ol
CID 171159020
1-[(1R,2R,5S)-2-hydroxy-5-(5-methyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)cyclohexyl]-3-propan-2-ylurea
CID 171159204
1-[(1R,2R,5S)-2-hydroxy-5-(5-methyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)cyclohexyl]-3-propylurea
CID 171159203
N-[(1R,2R,5S)-2-hydroxy-5-(5-methyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)cyclohexyl]methanesulfonamide
CID 171159165
(1R,2R,4S)-2-[(1-methylpiperidin-4-yl)amino]-4-(5-methyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)cyclohexan-1-ol
CID 171159233
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]pyrazine-2-carboxamide
CID 75529533
N-[(3R,3aR,7aR)-1-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide
CID 124521539
N-[(1R,2R,5S)-2-hydroxy-5-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)cyclohexyl]-3,3-dimethylbutanamide
CID 171159032
N-[(3R,4R)-4-hydroxy-1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133345
methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 110821817
N-(3-methylpiperidin-4-yl)pyrazine-2-carboxamide
CID 120556268

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,5S)-2-hydroxy-5-[5-(methoxymethyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]cyclohexyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(1R,2R,5S)-2-hydroxy-5-[5-(methoxymethyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]cyclohexyl]pyrazine-2-carboxamide (CID 171158986) is N-[(1R,2R,5S)-2-hydroxy-5-[5-(methoxymethyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]cyclohexyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1R,2R,5S)-2-hydroxy-5-[5-(methoxymethyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]cyclohexyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(1R,2R,5S)-2-hydroxy-5-[5-(methoxymethyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]cyclohexyl]pyrazine-2-carboxamide is COCc1nc([C@H]2CC[C@@H](O)[C@H](NC(=O)c3cnccn3)C2)n(-c2cccnc2)n1.
What is the InChIKey of N-[(1R,2R,5S)-2-hydroxy-5-[5-(methoxymethyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]cyclohexyl]pyrazine-2-carboxamide?
The InChIKey is ASCFDEXIZISNLG-YSVLISHTSA-N. The full InChI is InChI=1S/C20H23N7O3/c1-30-12-18-25-19(27(26-18)14-3-2-6-21-10-14)13-4-5-17(28)15(9-13)24-20(29)16-11-22-7-8-23-16/h2-3,6-8,10-11,13,15,17,28H,4-5,9,12H2,1H3,(H,24,29)/t13-,15+,17+/m0/s1.
What are the key properties of N-[(1R,2R,5S)-2-hydroxy-5-[5-(methoxymethyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]cyclohexyl]pyrazine-2-carboxamide?
N-[(1R,2R,5S)-2-hydroxy-5-[5-(methoxymethyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]cyclohexyl]pyrazine-2-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,5S)-2-hydroxy-5-[5-(methoxymethyl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]cyclohexyl]pyrazine-2-carboxamide is sourced from PubChem (CID 171158986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).