2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide

C12H17N5O — CID 103469330

IUPAC2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1ccc(N)c(C#N)n1
InChIInChI=1S/C12H17N5O/c1-4-17(3)12(18)8(2)15-11-6-5-9(14)10(7-13)16-11/h5-6,8H,4,14H2,1-3H3,(H,15,16)
InChIKeyBKDJWLOXDRSUJI-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.81
Rot. Bonds4

About 2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide

2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide (PubChem CID 103469330) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide
PubChem CID103469330
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1ccc(N)c(C#N)n1
InChIInChI=1S/C12H17N5O/c1-4-17(3)12(18)8(2)15-11-6-5-9(14)10(7-13)16-11/h5-6,8H,4,14H2,1-3H3,(H,15,16)
InChIKeyBKDJWLOXDRSUJI-UHFFFAOYSA-N
XLogP0.81
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide
CID 103106719
2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]-N-ethyl-N-methylpropanamide
CID 103106685
3-amino-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile
CID 103467749
2-(2-amino-4-cyanoanilino)-N-ethyl-N-methylpropanamide
CID 103106779
3-amino-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-2-carbonitrile
CID 103468731
3-amino-6-(hexan-2-ylamino)pyridine-2-carbonitrile
CID 103468203
methyl 6-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-methylpyridine-3-carboxylate
CID 103111674
N-ethyl-N-methyl-2-[(6-methylpyridazin-3-yl)amino]propanamide
CID 103111706
2-[(6-ethoxy-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103111715
3-amino-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-2-carbonitrile
CID 114151096
3-amino-6-(1-phenylethylamino)pyridine-2-carbonitrile
CID 103467281
methyl 2-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzoate
CID 103113350

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide (CID 103469330) is 2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)Nc1ccc(N)c(C#N)n1.
What is the InChIKey of 2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide?
The InChIKey is BKDJWLOXDRSUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-17(3)12(18)8(2)15-11-6-5-9(14)10(7-13)16-11/h5-6,8H,4,14H2,1-3H3,(H,15,16).
What are the key properties of 2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide?
2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide has a molecular weight of 247.30 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103469330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).