N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]pyridine-2-carboxamide

C16H17N3O3 — CID 71693795

IUPACN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]pyridine-2-carboxamide
SMILESO=C(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccncc1)c1ccccn1
InChIInChI=1S/C16H17N3O3/c20-13-9-11(10-4-7-17-8-5-10)14(15(13)21)19-16(22)12-3-1-2-6-18-12/h1-8,11,13-15,20-21H,9H2,(H,19,22)/t11-,13-,14-,15-/m1/s1
InChIKeyGTLCZMCKROXSMN-NMFUWQPSSA-N
MW299.33 g/mol
LogP0.48
Rot. Bonds3

About N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]pyridine-2-carboxamide

N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]pyridine-2-carboxamide (PubChem CID 71693795) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]pyridine-2-carboxamide
PubChem CID71693795
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]pyridine-2-carboxamide
SMILESO=C(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccncc1)c1ccccn1
InChIInChI=1S/C16H17N3O3/c20-13-9-11(10-4-7-17-8-5-10)14(15(13)21)19-16(22)12-3-1-2-6-18-12/h1-8,11,13-15,20-21H,9H2,(H,19,22)/t11-,13-,14-,15-/m1/s1
InChIKeyGTLCZMCKROXSMN-NMFUWQPSSA-N
XLogP0.48
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]pyridine-2-carboxamide?
The IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]pyridine-2-carboxamide (CID 71693795) is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]pyridine-2-carboxamide is O=C(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccncc1)c1ccccn1.
What is the InChIKey of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]pyridine-2-carboxamide?
The InChIKey is GTLCZMCKROXSMN-NMFUWQPSSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-13-9-11(10-4-7-17-8-5-10)14(15(13)21)19-16(22)12-3-1-2-6-18-12/h1-8,11,13-15,20-21H,9H2,(H,19,22)/t11-,13-,14-,15-/m1/s1.
What are the key properties of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]pyridine-2-carboxamide?
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]pyridine-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyridin-4-ylcyclopentyl]pyridine-2-carboxamide is sourced from PubChem (CID 71693795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).