N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-3-methylpyridine-2-carboxamide

C19H22N2O5 — CID 155901938

IUPACN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-3-methylpyridine-2-carboxamide
SMILESCOc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ncccc3C)[C@H](O)[C@H]2O)c1
InChIInChI=1S/C19H22N2O5/c1-11-5-4-8-20-16(11)19(24)21-14-10-15(18(23)17(14)22)26-13-7-3-6-12(9-13)25-2/h3-9,14-15,17-18,22-23H,10H2,1-2H3,(H,21,24)/t14-,15-,17+,18+/m1/s1
InChIKeyZGGBFXZWZIAAMN-LMSBXDPUSA-N
MW358.39 g/mol
LogP1.07
Rot. Bonds5

About N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-3-methylpyridine-2-carboxamide

N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-3-methylpyridine-2-carboxamide (PubChem CID 155901938) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-3-methylpyridine-2-carboxamide
PubChem CID155901938
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-3-methylpyridine-2-carboxamide
SMILESCOc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ncccc3C)[C@H](O)[C@H]2O)c1
InChIInChI=1S/C19H22N2O5/c1-11-5-4-8-20-16(11)19(24)21-14-10-15(18(23)17(14)22)26-13-7-3-6-12(9-13)25-2/h3-9,14-15,17-18,22-23H,10H2,1-2H3,(H,21,24)/t14-,15-,17+,18+/m1/s1
InChIKeyZGGBFXZWZIAAMN-LMSBXDPUSA-N
XLogP1.07
TPSA100.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-3-methylpyridine-2-carboxamide (CID 155901938) is N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-3-methylpyridine-2-carboxamide is COc1cccc(O[C@@H]2C[C@@H](NC(=O)c3ncccc3C)[C@H](O)[C@H]2O)c1.
What is the InChIKey of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-3-methylpyridine-2-carboxamide?
The InChIKey is ZGGBFXZWZIAAMN-LMSBXDPUSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-11-5-4-8-20-16(11)19(24)21-14-10-15(18(23)17(14)22)26-13-7-3-6-12(9-13)25-2/h3-9,14-15,17-18,22-23H,10H2,1-2H3,(H,21,24)/t14-,15-,17+,18+/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-3-methylpyridine-2-carboxamide?
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-3-methylpyridine-2-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(3-methoxyphenoxy)cyclopentyl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 155901938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).