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

C21H25N5O2 — CID 46881799

IUPACN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1
InChIInChI=1S/C21H25N5O2/c1-16-9-12-26(25-16)15-21(28)24-19-6-4-17(5-7-19)8-11-23-14-20(27)18-3-2-10-22-13-18/h2-7,9-10,12-13,20,23,27H,8,11,14-15H2,1H3,(H,24,28)/t20-/m0/s1
InChIKeyXDHYFBIGEHVUPM-FQEVSTJZSA-N
MW379.46 g/mol
LogP2.09
Rot. Bonds9

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

N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(3-methylpyrazol-1-yl)acetamide (PubChem CID 46881799) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(3-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(3-methylpyrazol-1-yl)acetamide
PubChem CID46881799
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1
InChIInChI=1S/C21H25N5O2/c1-16-9-12-26(25-16)15-21(28)24-19-6-4-17(5-7-19)8-11-23-14-20(27)18-3-2-10-22-13-18/h2-7,9-10,12-13,20,23,27H,8,11,14-15H2,1H3,(H,24,28)/t20-/m0/s1
InChIKeyXDHYFBIGEHVUPM-FQEVSTJZSA-N
XLogP2.09
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(3-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(3-methylpyrazol-1-yl)acetamide (CID 46881799) is N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(3-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(3-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(3-methylpyrazol-1-yl)acetamide is Cc1ccn(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1.
What is the InChIKey of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(3-methylpyrazol-1-yl)acetamide?
The InChIKey is XDHYFBIGEHVUPM-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-16-9-12-26(25-16)15-21(28)24-19-6-4-17(5-7-19)8-11-23-14-20(27)18-3-2-10-22-13-18/h2-7,9-10,12-13,20,23,27H,8,11,14-15H2,1H3,(H,24,28)/t20-/m0/s1.
What are the key properties of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(3-methylpyrazol-1-yl)acetamide?
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(3-methylpyrazol-1-yl)acetamide has a molecular weight of 379.46 g/mol, XLogP of 2.09, 9 rotatable bonds, 3 hydrogen bond donors, and 6 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-(3-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 46881799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).