N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]pyrazine-2-carboxamide

C18H22N4O4 — CID 75367843

IUPACN-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]pyrazine-2-carboxamide
SMILESCc1cccc(OCC2(CNC(=O)c3cnccn3)C[C@@H](O)[C@@H](O)C2)n1
InChIInChI=1S/C18H22N4O4/c1-12-3-2-4-16(22-12)26-11-18(7-14(23)15(24)8-18)10-21-17(25)13-9-19-5-6-20-13/h2-6,9,14-15,23-24H,7-8,10-11H2,1H3,(H,21,25)/t14-,15+,18?
InChIKeyXRKZXMINGSKAPK-MVVMVCHASA-N
MW358.40 g/mol
LogP0.49
Rot. Bonds6

About N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]pyrazine-2-carboxamide

N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]pyrazine-2-carboxamide (PubChem CID 75367843) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]pyrazine-2-carboxamide
PubChem CID75367843
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]pyrazine-2-carboxamide
SMILESCc1cccc(OCC2(CNC(=O)c3cnccn3)C[C@@H](O)[C@@H](O)C2)n1
InChIInChI=1S/C18H22N4O4/c1-12-3-2-4-16(22-12)26-11-18(7-14(23)15(24)8-18)10-21-17(25)13-9-19-5-6-20-13/h2-6,9,14-15,23-24H,7-8,10-11H2,1H3,(H,21,25)/t14-,15+,18?
InChIKeyXRKZXMINGSKAPK-MVVMVCHASA-N
XLogP0.49
TPSA117.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]pyrazine-2-carboxamide (CID 75367843) is N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]pyrazine-2-carboxamide is Cc1cccc(OCC2(CNC(=O)c3cnccn3)C[C@@H](O)[C@@H](O)C2)n1.
What is the InChIKey of N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]pyrazine-2-carboxamide?
The InChIKey is XRKZXMINGSKAPK-MVVMVCHASA-N. The full InChI is InChI=1S/C18H22N4O4/c1-12-3-2-4-16(22-12)26-11-18(7-14(23)15(24)8-18)10-21-17(25)13-9-19-5-6-20-13/h2-6,9,14-15,23-24H,7-8,10-11H2,1H3,(H,21,25)/t14-,15+,18?.
What are the key properties of N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]pyrazine-2-carboxamide?
N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]pyrazine-2-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4S)-3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 75367843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).