N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide

C17H23N5O3 — CID 110158791

IUPACN-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)(C(=O)N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O)n1cncn1
InChIInChI=1S/C17H23N5O3/c1-17(2,22-11-19-10-20-22)16(24)21-13-6-3-7-14(15(13)23)25-12-5-4-8-18-9-12/h4-5,8-11,13-15,23H,3,6-7H2,1-2H3,(H,21,24)/t13-,14-,15-/m1/s1
InChIKeyOHJHJZZXGOPKQI-RBSFLKMASA-N
MW345.40 g/mol
LogP0.89
Rot. Bonds5

About N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide

N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 110158791) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID110158791
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)(C(=O)N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O)n1cncn1
InChIInChI=1S/C17H23N5O3/c1-17(2,22-11-19-10-20-22)16(24)21-13-6-3-7-14(15(13)23)25-12-5-4-8-18-9-12/h4-5,8-11,13-15,23H,3,6-7H2,1-2H3,(H,21,24)/t13-,14-,15-/m1/s1
InChIKeyOHJHJZZXGOPKQI-RBSFLKMASA-N
XLogP0.89
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide (CID 110158791) is N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide is CC(C)(C(=O)N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O)n1cncn1.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is OHJHJZZXGOPKQI-RBSFLKMASA-N. The full InChI is InChI=1S/C17H23N5O3/c1-17(2,22-11-19-10-20-22)16(24)21-13-6-3-7-14(15(13)23)25-12-5-4-8-18-9-12/h4-5,8-11,13-15,23H,3,6-7H2,1-2H3,(H,21,24)/t13-,14-,15-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide?
N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 345.40 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-pyridin-3-yloxycyclohexyl]-2-methyl-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 110158791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).