2-[(2-amino-1-cyclopropylethyl)amino]-6-methylpyridine-3-carbonitrile

C12H16N4 — CID 65193804

IUPAC2-[(2-amino-1-cyclopropylethyl)amino]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NC(CN)C2CC2)n1
InChIInChI=1S/C12H16N4/c1-8-2-3-10(6-13)12(15-8)16-11(7-14)9-4-5-9/h2-3,9,11H,4-5,7,14H2,1H3,(H,15,16)
InChIKeyDVLHSNBAQCSWNV-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.41
Rot. Bonds4

About 2-[(2-amino-1-cyclopropylethyl)amino]-6-methylpyridine-3-carbonitrile

2-[(2-amino-1-cyclopropylethyl)amino]-6-methylpyridine-3-carbonitrile (PubChem CID 65193804) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-[(2-amino-1-cyclopropylethyl)amino]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-amino-1-cyclopropylethyl)amino]-6-methylpyridine-3-carbonitrile
PubChem CID65193804
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-[(2-amino-1-cyclopropylethyl)amino]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NC(CN)C2CC2)n1
InChIInChI=1S/C12H16N4/c1-8-2-3-10(6-13)12(15-8)16-11(7-14)9-4-5-9/h2-3,9,11H,4-5,7,14H2,1H3,(H,15,16)
InChIKeyDVLHSNBAQCSWNV-UHFFFAOYSA-N
XLogP1.41
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-cyclopropylethyl)amino]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[(2-amino-1-cyclopropylethyl)amino]-6-methylpyridine-3-carbonitrile (CID 65193804) is 2-[(2-amino-1-cyclopropylethyl)amino]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2-amino-1-cyclopropylethyl)amino]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(2-amino-1-cyclopropylethyl)amino]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(NC(CN)C2CC2)n1.
What is the InChIKey of 2-[(2-amino-1-cyclopropylethyl)amino]-6-methylpyridine-3-carbonitrile?
The InChIKey is DVLHSNBAQCSWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-8-2-3-10(6-13)12(15-8)16-11(7-14)9-4-5-9/h2-3,9,11H,4-5,7,14H2,1H3,(H,15,16).
What are the key properties of 2-[(2-amino-1-cyclopropylethyl)amino]-6-methylpyridine-3-carbonitrile?
2-[(2-amino-1-cyclopropylethyl)amino]-6-methylpyridine-3-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-cyclopropylethyl)amino]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 65193804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).