2-[(3-amino-4-cyano-2-pyridinyl)-propylamino]-N-methylacetamide

C12H17N5O — CID 82817459

IUPAC2-[(3-amino-4-cyano-2-pyridinyl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1nccc(C#N)c1N
InChIInChI=1S/C12H17N5O/c1-3-6-17(8-10(18)15-2)12-11(14)9(7-13)4-5-16-12/h4-5H,3,6,8,14H2,1-2H3,(H,15,18)
InChIKeyHKTJOEOWCPDHLQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.50
Rot. Bonds5

About 2-[(3-amino-4-cyano-2-pyridinyl)-propylamino]-N-methylacetamide

2-[(3-amino-4-cyano-2-pyridinyl)-propylamino]-N-methylacetamide (PubChem CID 82817459) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[(3-amino-4-cyano-2-pyridinyl)-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-amino-4-cyano-2-pyridinyl)-propylamino]-N-methylacetamide
PubChem CID82817459
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-[(3-amino-4-cyano-2-pyridinyl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1nccc(C#N)c1N
InChIInChI=1S/C12H17N5O/c1-3-6-17(8-10(18)15-2)12-11(14)9(7-13)4-5-16-12/h4-5H,3,6,8,14H2,1-2H3,(H,15,18)
InChIKeyHKTJOEOWCPDHLQ-UHFFFAOYSA-N
XLogP0.50
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-amino-4-cyano-2-pyridinyl)-butylamino]acetamide
CID 82817305
2-[(3-amino-4-cyano-2-pyridinyl)-ethylamino]acetamide
CID 103101208
3-amino-2-[cyclopropyl(propyl)amino]pyridine-4-carbonitrile
CID 82816961
2-[(2-amino-5-bromopyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 80806174
2-[[4-(aminomethyl)pyridazin-3-yl]-propylamino]-N-methylacetamide
CID 80509081
2-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
CID 54984974
2-[(5-amino-2-methyl-1H-imidazol-4-yl)-propylamino]-N-methylacetamide
CID 114995053
2-[(4-amino-2-cyanophenyl)sulfonyl-propylamino]-N-methylacetamide
CID 61126807
3-amino-2-[methyl(pentan-3-yl)amino]pyridine-4-carbonitrile
CID 82817290
3-amino-2-[bis(cyclopropylmethyl)amino]pyridine-4-carbonitrile
CID 82813472
2-[(2-cyanophenyl)methyl-propylamino]-N-methylacetamide
CID 54978738
2-[(7-aminoquinolin-4-yl)-propylamino]-N-methylacetamide
CID 103000785

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-cyano-2-pyridinyl)-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(3-amino-4-cyano-2-pyridinyl)-propylamino]-N-methylacetamide (CID 82817459) is 2-[(3-amino-4-cyano-2-pyridinyl)-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(3-amino-4-cyano-2-pyridinyl)-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(3-amino-4-cyano-2-pyridinyl)-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)c1nccc(C#N)c1N.
What is the InChIKey of 2-[(3-amino-4-cyano-2-pyridinyl)-propylamino]-N-methylacetamide?
The InChIKey is HKTJOEOWCPDHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-6-17(8-10(18)15-2)12-11(14)9(7-13)4-5-16-12/h4-5H,3,6,8,14H2,1-2H3,(H,15,18).
What are the key properties of 2-[(3-amino-4-cyano-2-pyridinyl)-propylamino]-N-methylacetamide?
2-[(3-amino-4-cyano-2-pyridinyl)-propylamino]-N-methylacetamide has a molecular weight of 247.30 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-cyano-2-pyridinyl)-propylamino]-N-methylacetamide is sourced from PubChem (CID 82817459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).