N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide

C18H24N4O4 — CID 75368050

IUPACN-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2(COc3cccnc3)C[C@@H](O)[C@@H](O)C2)n(C)n1
InChIInChI=1S/C18H24N4O4/c1-12-6-14(22(2)21-12)17(25)20-10-18(7-15(23)16(24)8-18)11-26-13-4-3-5-19-9-13/h3-6,9,15-16,23-24H,7-8,10-11H2,1-2H3,(H,20,25)/t15-,16+,18?
InChIKeyCNNVJYYFQXPKMS-BYICEURKSA-N
MW360.41 g/mol
LogP0.43
Rot. Bonds6

About N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide

N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 75368050) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID75368050
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2(COc3cccnc3)C[C@@H](O)[C@@H](O)C2)n(C)n1
InChIInChI=1S/C18H24N4O4/c1-12-6-14(22(2)21-12)17(25)20-10-18(7-15(23)16(24)8-18)11-26-13-4-3-5-19-9-13/h3-6,9,15-16,23-24H,7-8,10-11H2,1-2H3,(H,20,25)/t15-,16+,18?
InChIKeyCNNVJYYFQXPKMS-BYICEURKSA-N
XLogP0.43
TPSA109.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.43
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-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide (CID 75368050) is N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCC2(COc3cccnc3)C[C@@H](O)[C@@H](O)C2)n(C)n1.
What is the InChIKey of N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is CNNVJYYFQXPKMS-BYICEURKSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-12-6-14(22(2)21-12)17(25)20-10-18(7-15(23)16(24)8-18)11-26-13-4-3-5-19-9-13/h3-6,9,15-16,23-24H,7-8,10-11H2,1-2H3,(H,20,25)/t15-,16+,18?.
What are the key properties of N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[[(3R,4S)-3,4-dihydroxy-1-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 0.43, 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-(pyridin-3-yloxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 75368050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).