(2R)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-2-pyrazol-1-ylpropanamide

C14H19N5O — CID 126451165

IUPAC(2R)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-2-pyrazol-1-ylpropanamide
SMILESCc1cnccc1NCCNC(=O)[C@@H](C)n1cccn1
InChIInChI=1S/C14H19N5O/c1-11-10-15-6-4-13(11)16-7-8-17-14(20)12(2)19-9-3-5-18-19/h3-6,9-10,12H,7-8H2,1-2H3,(H,15,16)(H,17,20)/t12-/m1/s1
InChIKeyGKLXUPXOYILSEP-GFCCVEGCSA-N
MW273.34 g/mol
LogP1.38
Rot. Bonds6

About (2R)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-2-pyrazol-1-ylpropanamide

(2R)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-2-pyrazol-1-ylpropanamide (PubChem CID 126451165) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (2R)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-2-pyrazol-1-ylpropanamide
PubChem CID126451165
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(2R)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-2-pyrazol-1-ylpropanamide
SMILESCc1cnccc1NCCNC(=O)[C@@H](C)n1cccn1
InChIInChI=1S/C14H19N5O/c1-11-10-15-6-4-13(11)16-7-8-17-14(20)12(2)19-9-3-5-18-19/h3-6,9-10,12H,7-8H2,1-2H3,(H,15,16)(H,17,20)/t12-/m1/s1
InChIKeyGKLXUPXOYILSEP-GFCCVEGCSA-N
XLogP1.38
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (2R)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of (2R)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-2-pyrazol-1-ylpropanamide (CID 126451165) is (2R)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2R)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for (2R)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-2-pyrazol-1-ylpropanamide is Cc1cnccc1NCCNC(=O)[C@@H](C)n1cccn1.
What is the InChIKey of (2R)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is GKLXUPXOYILSEP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11-10-15-6-4-13(11)16-7-8-17-14(20)12(2)19-9-3-5-18-19/h3-6,9-10,12H,7-8H2,1-2H3,(H,15,16)(H,17,20)/t12-/m1/s1.
What are the key properties of (2R)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-2-pyrazol-1-ylpropanamide?
(2R)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 273.34 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 126451165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).