2-[(5-chloro-2-pyridinyl)-methylamino]-N-(1H-pyrazol-4-yl)acetamide

C11H12ClN5O — CID 43540473

IUPAC2-[(5-chloro-2-pyridinyl)-methylamino]-N-(1H-pyrazol-4-yl)acetamide
SMILESCN(CC(=O)Nc1cn[nH]c1)c1ccc(Cl)cn1
InChIInChI=1S/C11H12ClN5O/c1-17(10-3-2-8(12)4-13-10)7-11(18)16-9-5-14-15-6-9/h2-6H,7H2,1H3,(H,14,15)(H,16,18)
InChIKeyYIHLMBISEGROHR-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.53
Rot. Bonds4

About 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(1H-pyrazol-4-yl)acetamide

2-[(5-chloro-2-pyridinyl)-methylamino]-N-(1H-pyrazol-4-yl)acetamide (PubChem CID 43540473) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)-methylamino]-N-(1H-pyrazol-4-yl)acetamide
PubChem CID43540473
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name2-[(5-chloro-2-pyridinyl)-methylamino]-N-(1H-pyrazol-4-yl)acetamide
SMILESCN(CC(=O)Nc1cn[nH]c1)c1ccc(Cl)cn1
InChIInChI=1S/C11H12ClN5O/c1-17(10-3-2-8(12)4-13-10)7-11(18)16-9-5-14-15-6-9/h2-6H,7H2,1H3,(H,14,15)(H,16,18)
InChIKeyYIHLMBISEGROHR-UHFFFAOYSA-N
XLogP1.53
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-2-pyridinyl)-methylamino]-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 112691460
2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]-methylamino]-N-phenylacetamide
CID 51091626
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 115747739
methyl 3-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]propanoate
CID 47363961
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914456
2-[(5-chloro-2-pyridinyl)-methylamino]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 61343893
2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]-2-ethylbutanoic acid
CID 79813313
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114648
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103755798
ethyl 4-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]butanoate
CID 61344211
2-[(5-chloro-2-pyridinyl)-methylamino]-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 64868265
(2R)-2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]pentanoic acid
CID 107563108

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(1H-pyrazol-4-yl)acetamide (CID 43540473) is 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(1H-pyrazol-4-yl)acetamide is CN(CC(=O)Nc1cn[nH]c1)c1ccc(Cl)cn1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(1H-pyrazol-4-yl)acetamide?
The InChIKey is YIHLMBISEGROHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-17(10-3-2-8(12)4-13-10)7-11(18)16-9-5-14-15-6-9/h2-6H,7H2,1H3,(H,14,15)(H,16,18).
What are the key properties of 2-[(5-chloro-2-pyridinyl)-methylamino]-N-(1H-pyrazol-4-yl)acetamide?
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(1H-pyrazol-4-yl)acetamide has a molecular weight of 265.70 g/mol, XLogP of 1.53, 4 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-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 43540473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).