N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(1,2,4-triazol-1-yl)acetamide

C19H22N6O2 — CID 46881614

IUPACN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
InChIInChI=1S/C19H22N6O2/c26-18(16-2-1-8-20-10-16)11-21-9-7-15-3-5-17(6-4-15)24-19(27)12-25-14-22-13-23-25/h1-6,8,10,13-14,18,21,26H,7,9,11-12H2,(H,24,27)/t18-/m0/s1
InChIKeyMWMXMJXDBMIQEO-SFHVURJKSA-N
MW366.43 g/mol
LogP1.18
Rot. Bonds9

About N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 46881614) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID46881614
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
InChIInChI=1S/C19H22N6O2/c26-18(16-2-1-8-20-10-16)11-21-9-7-15-3-5-17(6-4-15)24-19(27)12-25-14-22-13-23-25/h1-6,8,10,13-14,18,21,26H,7,9,11-12H2,(H,24,27)/t18-/m0/s1
InChIKeyMWMXMJXDBMIQEO-SFHVURJKSA-N
XLogP1.18
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 46881614) is N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1.
What is the InChIKey of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is MWMXMJXDBMIQEO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N6O2/c26-18(16-2-1-8-20-10-16)11-21-9-7-15-3-5-17(6-4-15)24-19(27)12-25-14-22-13-23-25/h1-6,8,10,13-14,18,21,26H,7,9,11-12H2,(H,24,27)/t18-/m0/s1.
What are the key properties of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 366.43 g/mol, XLogP of 1.18, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 46881614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).