6-methyl-2-(2-methylpropylamino)-2,3-dihydropyridine-3-carbonitrile

C11H17N3 — CID 143901968

IUPAC6-methyl-2-(2-methylpropylamino)-2,3-dihydropyridine-3-carbonitrile
SMILESCC1=NC(NCC(C)C)C(C#N)C=C1
InChIInChI=1S/C11H17N3/c1-8(2)7-13-11-10(6-12)5-4-9(3)14-11/h4-5,8,10-11,13H,7H2,1-3H3
InChIKeyFAMJWSBTDAGMGN-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.73
Rot. Bonds3

About 6-methyl-2-(2-methylpropylamino)-2,3-dihydropyridine-3-carbonitrile

6-methyl-2-(2-methylpropylamino)-2,3-dihydropyridine-3-carbonitrile (PubChem CID 143901968) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 6-methyl-2-(2-methylpropylamino)-2,3-dihydropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(2-methylpropylamino)-2,3-dihydropyridine-3-carbonitrile
PubChem CID143901968
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name6-methyl-2-(2-methylpropylamino)-2,3-dihydropyridine-3-carbonitrile
SMILESCC1=NC(NCC(C)C)C(C#N)C=C1
InChIInChI=1S/C11H17N3/c1-8(2)7-13-11-10(6-12)5-4-9(3)14-11/h4-5,8,10-11,13H,7H2,1-3H3
InChIKeyFAMJWSBTDAGMGN-UHFFFAOYSA-N
XLogP1.73
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylpropylamino)-2,3-dihydropyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-(2-methylpropylamino)-2,3-dihydropyridine-3-carbonitrile (CID 143901968) is 6-methyl-2-(2-methylpropylamino)-2,3-dihydropyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-(2-methylpropylamino)-2,3-dihydropyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-(2-methylpropylamino)-2,3-dihydropyridine-3-carbonitrile is CC1=NC(NCC(C)C)C(C#N)C=C1.
What is the InChIKey of 6-methyl-2-(2-methylpropylamino)-2,3-dihydropyridine-3-carbonitrile?
The InChIKey is FAMJWSBTDAGMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-8(2)7-13-11-10(6-12)5-4-9(3)14-11/h4-5,8,10-11,13H,7H2,1-3H3.
What are the key properties of 6-methyl-2-(2-methylpropylamino)-2,3-dihydropyridine-3-carbonitrile?
6-methyl-2-(2-methylpropylamino)-2,3-dihydropyridine-3-carbonitrile has a molecular weight of 191.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylpropylamino)-2,3-dihydropyridine-3-carbonitrile is sourced from PubChem (CID 143901968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).