2-[(2-cyano-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide

C12H16N4O — CID 103110286

IUPAC2-[(2-cyano-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1ccnc(C#N)c1
InChIInChI=1S/C12H16N4O/c1-4-16(3)12(17)9(2)15-10-5-6-14-11(7-10)8-13/h5-7,9H,4H2,1-3H3,(H,14,15)
InChIKeyBTSBSXYGIJWBKY-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.23
Rot. Bonds4

About 2-[(2-cyano-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide

2-[(2-cyano-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide (PubChem CID 103110286) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[(2-cyano-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(2-cyano-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide
PubChem CID103110286
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-[(2-cyano-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1ccnc(C#N)c1
InChIInChI=1S/C12H16N4O/c1-4-16(3)12(17)9(2)15-10-5-6-14-11(7-10)8-13/h5-7,9H,4H2,1-3H3,(H,14,15)
InChIKeyBTSBSXYGIJWBKY-UHFFFAOYSA-N
XLogP1.23
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103112969
ethyl 2-[(2-cyano-4-pyridinyl)amino]propanoate
CID 62925360
2-[(2-cyano-4-pyridinyl)amino]propanamide
CID 62926737
3-[(2-cyano-4-pyridinyl)amino]butanoic acid
CID 62926548
2-[(2-chloro-4-pyridinyl)amino]-N,N-diethylpropanamide
CID 102824371
4-(pent-1-yn-3-ylamino)pyridine-2-carbonitrile
CID 106230805
4-(octan-2-ylamino)pyridine-2-carbonitrile
CID 62924662
2-(2-amino-4-cyanoanilino)-N-ethyl-N-methylpropanamide
CID 103106779
N-ethyl-N-methyl-2-(pyrimidin-4-ylamino)propanamide
CID 103111508
N-ethyl-N-methyl-2-[(4-nitro-2-pyridinyl)amino]propanamide
CID 103111708
N-ethyl-2-[(7-hydroxyisoquinolin-1-yl)amino]-N-methylpropanamide
CID 106540035
2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103469330

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(2-cyano-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide (CID 103110286) is 2-[(2-cyano-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(2-cyano-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(2-cyano-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)Nc1ccnc(C#N)c1.
What is the InChIKey of 2-[(2-cyano-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide?
The InChIKey is BTSBSXYGIJWBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-4-16(3)12(17)9(2)15-10-5-6-14-11(7-10)8-13/h5-7,9H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-[(2-cyano-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide?
2-[(2-cyano-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide has a molecular weight of 232.29 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyano-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103110286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).