N-(2-cyanoethyl)-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-methylpropanamide

C14H21N5O2 — CID 114395686

IUPACN-(2-cyanoethyl)-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-methylpropanamide
SMILESCCN(C)c1cnn(CCC(=O)N(C)CCC#N)c(=O)c1
InChIInChI=1S/C14H21N5O2/c1-4-17(2)12-10-14(21)19(16-11-12)9-6-13(20)18(3)8-5-7-15/h10-11H,4-6,8-9H2,1-3H3
InChIKeyRBWJUOFTUIVAQZ-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.46
Rot. Bonds7

About N-(2-cyanoethyl)-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-methylpropanamide

N-(2-cyanoethyl)-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-methylpropanamide (PubChem CID 114395686) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-methylpropanamide
PubChem CID114395686
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC NameN-(2-cyanoethyl)-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-methylpropanamide
SMILESCCN(C)c1cnn(CCC(=O)N(C)CCC#N)c(=O)c1
InChIInChI=1S/C14H21N5O2/c1-4-17(2)12-10-14(21)19(16-11-12)9-6-13(20)18(3)8-5-7-15/h10-11H,4-6,8-9H2,1-3H3
InChIKeyRBWJUOFTUIVAQZ-UHFFFAOYSA-N
XLogP0.46
TPSA82.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-methylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-methylpropanamide (CID 114395686) is N-(2-cyanoethyl)-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-methylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-methylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-methylpropanamide is CCN(C)c1cnn(CCC(=O)N(C)CCC#N)c(=O)c1.
What is the InChIKey of N-(2-cyanoethyl)-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-methylpropanamide?
The InChIKey is RBWJUOFTUIVAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-4-17(2)12-10-14(21)19(16-11-12)9-6-13(20)18(3)8-5-7-15/h10-11H,4-6,8-9H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-methylpropanamide?
N-(2-cyanoethyl)-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-methylpropanamide has a molecular weight of 291.36 g/mol, XLogP of 0.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 114395686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).