2-[cyclopropyl(prop-2-enyl)amino]-6-methylpyridine-4-carbonitrile

C13H15N3 — CID 114766517

IUPAC2-[cyclopropyl(prop-2-enyl)amino]-6-methylpyridine-4-carbonitrile
SMILESC=CCN(c1cc(C#N)cc(C)n1)C1CC1
InChIInChI=1S/C13H15N3/c1-3-6-16(12-4-5-12)13-8-11(9-14)7-10(2)15-13/h3,7-8,12H,1,4-6H2,2H3
InChIKeyDCDUVGUCHTTXNV-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.42
Rot. Bonds4

About 2-[cyclopropyl(prop-2-enyl)amino]-6-methylpyridine-4-carbonitrile

2-[cyclopropyl(prop-2-enyl)amino]-6-methylpyridine-4-carbonitrile (PubChem CID 114766517) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[cyclopropyl(prop-2-enyl)amino]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[cyclopropyl(prop-2-enyl)amino]-6-methylpyridine-4-carbonitrile
PubChem CID114766517
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-[cyclopropyl(prop-2-enyl)amino]-6-methylpyridine-4-carbonitrile
SMILESC=CCN(c1cc(C#N)cc(C)n1)C1CC1
InChIInChI=1S/C13H15N3/c1-3-6-16(12-4-5-12)13-8-11(9-14)7-10(2)15-13/h3,7-8,12H,1,4-6H2,2H3
InChIKeyDCDUVGUCHTTXNV-UHFFFAOYSA-N
XLogP2.42
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(4-aminocyclohexyl)-ethylamino]-6-methylpyridine-4-carbonitrile
CID 114770148
2-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile
CID 114766447
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-6-methylpyridine-4-carbonitrile
CID 106643778
3-[cyclopropyl(prop-2-enyl)amino]-5-fluorobenzonitrile
CID 102817054
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-methylpyridine-4-carbonitrile
CID 114770116
2-[[2-(aminomethyl)cyclohexyl]-ethylamino]-6-methylpyridine-4-carbonitrile
CID 114770120
2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyridine-4-carbonitrile
CID 114766295
2-[ethyl(piperidin-4-ylmethyl)amino]-6-methylpyridine-4-carbonitrile
CID 114770166
2-[bis(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile
CID 114765935
2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-6-methylpyridine-4-carbonitrile
CID 114768259
2-methyl-6-[methyl(propan-2-yl)amino]pyridine-4-carbonitrile
CID 114765737
2-methyl-6-[methyl(pentan-3-yl)amino]pyridine-4-carbonitrile
CID 114765889

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(prop-2-enyl)amino]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[cyclopropyl(prop-2-enyl)amino]-6-methylpyridine-4-carbonitrile (CID 114766517) is 2-[cyclopropyl(prop-2-enyl)amino]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[cyclopropyl(prop-2-enyl)amino]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[cyclopropyl(prop-2-enyl)amino]-6-methylpyridine-4-carbonitrile is C=CCN(c1cc(C#N)cc(C)n1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(prop-2-enyl)amino]-6-methylpyridine-4-carbonitrile?
The InChIKey is DCDUVGUCHTTXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-3-6-16(12-4-5-12)13-8-11(9-14)7-10(2)15-13/h3,7-8,12H,1,4-6H2,2H3.
What are the key properties of 2-[cyclopropyl(prop-2-enyl)amino]-6-methylpyridine-4-carbonitrile?
2-[cyclopropyl(prop-2-enyl)amino]-6-methylpyridine-4-carbonitrile has a molecular weight of 213.28 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(prop-2-enyl)amino]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114766517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).