2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]acetamide

C9H9ClN4O — CID 107056929

IUPAC2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]acetamide
SMILESCN(CC(N)=O)c1nccc(C#N)c1Cl
InChIInChI=1S/C9H9ClN4O/c1-14(5-7(12)15)9-8(10)6(4-11)2-3-13-9/h2-3H,5H2,1H3,(H2,12,15)
InChIKeySEAANFZVJOIRDW-UHFFFAOYSA-N
MW224.65 g/mol
LogP0.53
Rot. Bonds3

About 2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]acetamide

2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]acetamide (PubChem CID 107056929) has the molecular formula C9H9ClN4O and a molecular weight of 224.65 g/mol. Its IUPAC name is 2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]acetamide
PubChem CID107056929
Molecular FormulaC9H9ClN4O
Molecular Weight224.65 g/mol
Exact Mass224.05
IUPAC Name2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]acetamide
SMILESCN(CC(N)=O)c1nccc(C#N)c1Cl
InChIInChI=1S/C9H9ClN4O/c1-14(5-7(12)15)9-8(10)6(4-11)2-3-13-9/h2-3H,5H2,1H3,(H2,12,15)
InChIKeySEAANFZVJOIRDW-UHFFFAOYSA-N
XLogP0.53
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[ethyl(methyl)amino]pyridine-4-carbonitrile
CID 107056896
3-chloro-2-[2-hydroxypropyl(methyl)amino]pyridine-4-carbonitrile
CID 107057550
3-chloro-2-[2,2-difluoroethyl(methyl)amino]pyridine-4-carbonitrile
CID 107058480
4-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]benzoic acid
CID 107056589
2-[(3-amino-4-cyano-2-pyridinyl)-ethylamino]acetamide
CID 103101208
2-amino-N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethylbenzamide
CID 145106403
2-[(3-chloro-4-cyano-2-pyridinyl)-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 107056304
3-chloro-2-[1-cyanopropan-2-yl(methyl)amino]pyridine-4-carbonitrile
CID 107056611
2-[(3-chloro-4-cyano-2-pyridinyl)-(cyclopropylmethyl)amino]acetic acid
CID 107056300
2-[(3-amino-4-cyano-2-pyridinyl)-butylamino]acetamide
CID 82817305
2-[(3-fluoropyrazin-2-yl)-methylamino]acetamide
CID 164648120
3-chloro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
CID 107057707

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]acetamide?
The IUPAC name of 2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]acetamide (CID 107056929) is 2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]acetamide.
What is the SMILES notation for 2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]acetamide?
The canonical SMILES for 2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]acetamide is CN(CC(N)=O)c1nccc(C#N)c1Cl.
What is the InChIKey of 2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]acetamide?
The InChIKey is SEAANFZVJOIRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O/c1-14(5-7(12)15)9-8(10)6(4-11)2-3-13-9/h2-3H,5H2,1H3,(H2,12,15).
What are the key properties of 2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]acetamide?
2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]acetamide has a molecular weight of 224.65 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]acetamide is sourced from PubChem (CID 107056929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).