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

C19H25N5O3 — CID 75529342

IUPACN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]cyclopentanecarboxamide
SMILESO=C(N[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O)C1CCCC1
InChIInChI=1S/C19H25N5O3/c25-17-14(8-15(18(17)26)21-19(27)12-4-1-2-5-12)10-24-11-16(22-23-24)13-6-3-7-20-9-13/h3,6-7,9,11-12,14-15,17-18,25-26H,1-2,4-5,8,10H2,(H,21,27)/t14-,15-,17-,18+/m1/s1
InChIKeyPIHVIUJCYHZXSO-AHCXZYCDSA-N
MW371.44 g/mol
LogP0.76
Rot. Bonds5

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

N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]cyclopentanecarboxamide (PubChem CID 75529342) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]cyclopentanecarboxamide
PubChem CID75529342
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]cyclopentanecarboxamide
SMILESO=C(N[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O)C1CCCC1
InChIInChI=1S/C19H25N5O3/c25-17-14(8-15(18(17)26)21-19(27)12-4-1-2-5-12)10-24-11-16(22-23-24)13-6-3-7-20-9-13/h3,6-7,9,11-12,14-15,17-18,25-26H,1-2,4-5,8,10H2,(H,21,27)/t14-,15-,17-,18+/m1/s1
InChIKeyPIHVIUJCYHZXSO-AHCXZYCDSA-N
XLogP0.76
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.76
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]cyclopentanecarboxamide?
The IUPAC name of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]cyclopentanecarboxamide (CID 75529342) is N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]cyclopentanecarboxamide is O=C(N[C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O)C1CCCC1.
What is the InChIKey of N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]cyclopentanecarboxamide?
The InChIKey is PIHVIUJCYHZXSO-AHCXZYCDSA-N. The full InChI is InChI=1S/C19H25N5O3/c25-17-14(8-15(18(17)26)21-19(27)12-4-1-2-5-12)10-24-11-16(22-23-24)13-6-3-7-20-9-13/h3,6-7,9,11-12,14-15,17-18,25-26H,1-2,4-5,8,10H2,(H,21,27)/t14-,15-,17-,18+/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]cyclopentanecarboxamide?
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-pyridin-3-yltriazol-1-yl)methyl]cyclopentyl]cyclopentanecarboxamide has a molecular weight of 371.44 g/mol, XLogP of 0.76, 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]cyclopentanecarboxamide is sourced from PubChem (CID 75529342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).