N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-pyrazol-1-ylpropanamide

C21H25N5O2 — CID 46881840

IUPACN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1cccn1
InChIInChI=1S/C21H25N5O2/c1-16(26-13-3-11-24-26)21(28)25-19-7-5-17(6-8-19)9-12-23-15-20(27)18-4-2-10-22-14-18/h2-8,10-11,13-14,16,20,23,27H,9,12,15H2,1H3,(H,25,28)/t16?,20-/m0/s1
InChIKeyWKTNABHGNZVXNS-FZCLLLDFSA-N
MW379.46 g/mol
LogP2.34
Rot. Bonds9

About N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-pyrazol-1-ylpropanamide

N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-pyrazol-1-ylpropanamide (PubChem CID 46881840) 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-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-pyrazol-1-ylpropanamide
PubChem CID46881840
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-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1cccn1
InChIInChI=1S/C21H25N5O2/c1-16(26-13-3-11-24-26)21(28)25-19-7-5-17(6-8-19)9-12-23-15-20(27)18-4-2-10-22-14-18/h2-8,10-11,13-14,16,20,23,27H,9,12,15H2,1H3,(H,25,28)/t16?,20-/m0/s1
InChIKeyWKTNABHGNZVXNS-FZCLLLDFSA-N
XLogP2.34
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 ≤ 52.34
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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Related Compounds

2-(2-phenylethylamino)-1-pyridin-3-ylethanol
CID 20826867
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 46881616
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 46881653
1-[4-[[4-[2-[(2-hydroxy-2-pyridin-3-ylethyl)amino]ethyl]phenyl]sulfamoyl]phenyl]-3-(2-phenylethyl)urea
CID 19420719
N-(4-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 134060372
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 123984244
(1R)-2-[2-[4-[[(Z)-1-(naphthalen-2-ylamino)-2-nitroethenyl]amino]phenyl]ethylamino]-1-pyridin-3-ylethanol
CID 10162241
4-[4-[2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-3-methylbenzoic acid
CID 69051953
N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187532
2-[2-[4-[[(E)-1-(3-fluoroanilino)-2-nitroethenyl]amino]phenyl]ethylamino]-1-pyridin-3-ylethanol
CID 91931589
(1R)-2-[2-[4-(cyclohexylsulfamoylamino)phenyl]ethylamino]-1-pyridin-3-ylethanol;dihydrochloride
CID 45261523

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-pyrazol-1-ylpropanamide (CID 46881840) is N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-pyrazol-1-ylpropanamide is CC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1cccn1.
What is the InChIKey of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is WKTNABHGNZVXNS-FZCLLLDFSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-16(26-13-3-11-24-26)21(28)25-19-7-5-17(6-8-19)9-12-23-15-20(27)18-4-2-10-22-14-18/h2-8,10-11,13-14,16,20,23,27H,9,12,15H2,1H3,(H,25,28)/t16?,20-/m0/s1.
What are the key properties of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-pyrazol-1-ylpropanamide?
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 379.46 g/mol, XLogP of 2.34, 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-pyrazol-1-ylpropanamide is sourced from PubChem (CID 46881840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).