N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzamide

C20H21N5O3 — CID 75529343

IUPACN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzamide
SMILESO=C(N[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O)c1ccccc1
InChIInChI=1S/C20H21N5O3/c26-18-15(11-25-12-17(23-24-25)14-7-4-8-21-10-14)9-16(19(18)27)22-20(28)13-5-2-1-3-6-13/h1-8,10,12,15-16,18-19,26-27H,9,11H2,(H,22,28)/t15-,16-,18-,19+/m1/s1
InChIKeyPNGNMIRXMRYAIK-RWQQGDIJSA-N
MW379.42 g/mol
LogP0.88
Rot. Bonds5

About N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzamide

N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzamide (PubChem CID 75529343) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzamide
PubChem CID75529343
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzamide
SMILESO=C(N[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O)c1ccccc1
InChIInChI=1S/C20H21N5O3/c26-18-15(11-25-12-17(23-24-25)14-7-4-8-21-10-14)9-16(19(18)27)22-20(28)13-5-2-1-3-6-13/h1-8,10,12,15-16,18-19,26-27H,9,11H2,(H,22,28)/t15-,16-,18-,19+/m1/s1
InChIKeyPNGNMIRXMRYAIK-RWQQGDIJSA-N
XLogP0.88
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzamide?
The IUPAC name of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzamide (CID 75529343) is N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzamide is O=C(N[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O)c1ccccc1.
What is the InChIKey of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzamide?
The InChIKey is PNGNMIRXMRYAIK-RWQQGDIJSA-N. The full InChI is InChI=1S/C20H21N5O3/c26-18-15(11-25-12-17(23-24-25)14-7-4-8-21-10-14)9-16(19(18)27)22-20(28)13-5-2-1-3-6-13/h1-8,10,12,15-16,18-19,26-27H,9,11H2,(H,22,28)/t15-,16-,18-,19+/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzamide?
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzamide has a molecular weight of 379.42 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]benzamide is sourced from PubChem (CID 75529343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).