2-[butyl-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]amino]acetamide

C14H23ClN4O — CID 62890626

IUPAC2-[butyl-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]amino]acetamide
SMILESCCCCN(CC(N)=O)Cc1nc(NCC)ccc1Cl
InChIInChI=1S/C14H23ClN4O/c1-3-5-8-19(10-13(16)20)9-12-11(15)6-7-14(18-12)17-4-2/h6-7H,3-5,8-10H2,1-2H3,(H2,16,20)(H,17,18)
InChIKeyDWHHTALKLSLLQL-UHFFFAOYSA-N
MW298.82 g/mol
LogP2.25
Rot. Bonds9

About 2-[butyl-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]amino]acetamide

2-[butyl-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]amino]acetamide (PubChem CID 62890626) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is 2-[butyl-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]amino]acetamide
PubChem CID62890626
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name2-[butyl-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]amino]acetamide
SMILESCCCCN(CC(N)=O)Cc1nc(NCC)ccc1Cl
InChIInChI=1S/C14H23ClN4O/c1-3-5-8-19(10-13(16)20)9-12-11(15)6-7-14(18-12)17-4-2/h6-7H,3-5,8-10H2,1-2H3,(H2,16,20)(H,17,18)
InChIKeyDWHHTALKLSLLQL-UHFFFAOYSA-N
XLogP2.25
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[(dipropylamino)methyl]-N-ethylpyridin-2-amine
CID 62891121
2-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl-propylamino]ethanol
CID 62891160
N'-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62890809
2-[[(2-amino-2-oxoethyl)-butylamino]methyl]pyridine-3-carboxylic acid
CID 114198495
2-[butyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetamide
CID 80788637
N-butan-2-yl-N-butyl-3-chloro-6-(ethylamino)pyridine-2-carboxamide
CID 62176971
5-chloro-N-ethyl-6-[[methyl(3-methylbutan-2-yl)amino]methyl]pyridin-2-amine
CID 55127729
2-[(2-amino-6-chlorophenyl)methyl-butylamino]acetamide
CID 63747289
5-chloro-N-ethyl-6-[[ethyl(propan-2-yl)amino]methyl]pyridin-2-amine
CID 62890418
2-[butyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide
CID 102757385
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-propylpropan-1-amine
CID 62892380
5-chloro-6-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62890773

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]amino]acetamide?
The IUPAC name of 2-[butyl-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]amino]acetamide (CID 62890626) is 2-[butyl-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]amino]acetamide?
The canonical SMILES for 2-[butyl-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]amino]acetamide is CCCCN(CC(N)=O)Cc1nc(NCC)ccc1Cl.
What is the InChIKey of 2-[butyl-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]amino]acetamide?
The InChIKey is DWHHTALKLSLLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-3-5-8-19(10-13(16)20)9-12-11(15)6-7-14(18-12)17-4-2/h6-7H,3-5,8-10H2,1-2H3,(H2,16,20)(H,17,18).
What are the key properties of 2-[butyl-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]amino]acetamide?
2-[butyl-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]amino]acetamide has a molecular weight of 298.82 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]amino]acetamide is sourced from PubChem (CID 62890626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).