2-[(5-chloro-2-pyridinyl)-methylamino]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide

C14H18ClN5O — CID 115747739

IUPAC2-[(5-chloro-2-pyridinyl)-methylamino]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
SMILESCC(C)c1cc(NC(=O)CN(C)c2ccc(Cl)cn2)n[nH]1
InChIInChI=1S/C14H18ClN5O/c1-9(2)11-6-12(19-18-11)17-14(21)8-20(3)13-5-4-10(15)7-16-13/h4-7,9H,8H2,1-3H3,(H2,17,18,19,21)
InChIKeyXVKAYALEGCXTGK-UHFFFAOYSA-N
MW307.79 g/mol
LogP2.66
Rot. Bonds5

About 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide

2-[(5-chloro-2-pyridinyl)-methylamino]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide (PubChem CID 115747739) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)-methylamino]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
PubChem CID115747739
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name2-[(5-chloro-2-pyridinyl)-methylamino]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
SMILESCC(C)c1cc(NC(=O)CN(C)c2ccc(Cl)cn2)n[nH]1
InChIInChI=1S/C14H18ClN5O/c1-9(2)11-6-12(19-18-11)17-14(21)8-20(3)13-5-4-10(15)7-16-13/h4-7,9H,8H2,1-3H3,(H2,17,18,19,21)
InChIKeyXVKAYALEGCXTGK-UHFFFAOYSA-N
XLogP2.66
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide (CID 115747739) is 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide is CC(C)c1cc(NC(=O)CN(C)c2ccc(Cl)cn2)n[nH]1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
The InChIKey is XVKAYALEGCXTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-9(2)11-6-12(19-18-11)17-14(21)8-20(3)13-5-4-10(15)7-16-13/h4-7,9H,8H2,1-3H3,(H2,17,18,19,21).
What are the key properties of 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide?
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide has a molecular weight of 307.79 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 115747739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).