2-[bis(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile

C15H23N3 — CID 114765935

IUPAC2-[bis(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N(CC(C)C)CC(C)C)n1
InChIInChI=1S/C15H23N3/c1-11(2)9-18(10-12(3)4)15-7-14(8-16)6-13(5)17-15/h6-7,11-12H,9-10H2,1-5H3
InChIKeyWTPKKQKMJJSMON-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.38
Rot. Bonds5

About 2-[bis(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile

2-[bis(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile (PubChem CID 114765935) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[bis(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[bis(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile
PubChem CID114765935
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-[bis(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N(CC(C)C)CC(C)C)n1
InChIInChI=1S/C15H23N3/c1-11(2)9-18(10-12(3)4)15-7-14(8-16)6-13(5)17-15/h6-7,11-12H,9-10H2,1-5H3
InChIKeyWTPKKQKMJJSMON-UHFFFAOYSA-N
XLogP3.38
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 106620650
2-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile
CID 114766447
2-methyl-6-[methyl(propan-2-yl)amino]pyridine-4-carbonitrile
CID 114765737
2-[carboxymethyl-(4-cyano-6-methyl-2-pyridinyl)amino]acetic acid
CID 114765403
2-methyl-6-[propan-2-yl(propyl)amino]pyridine-4-carbonitrile
CID 114765840
2-methyl-6-[methyl(pentan-3-yl)amino]pyridine-4-carbonitrile
CID 114765889
2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyridine-4-carbonitrile
CID 114766295
2-methyl-6-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carbonitrile
CID 114766314
2-[(3-amino-4-methylpentyl)-methylamino]-6-methylpyridine-4-carbonitrile
CID 114770229
2-[ethyl(piperidin-4-ylmethyl)amino]-6-methylpyridine-4-carbonitrile
CID 114770166
2-chloro-6-[methyl(2-methylpropyl)amino]pyridine-4-carbonitrile
CID 83074339
2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carbonitrile
CID 114765911

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[bis(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile (CID 114765935) is 2-[bis(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[bis(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[bis(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(N(CC(C)C)CC(C)C)n1.
What is the InChIKey of 2-[bis(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile?
The InChIKey is WTPKKQKMJJSMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-11(2)9-18(10-12(3)4)15-7-14(8-16)6-13(5)17-15/h6-7,11-12H,9-10H2,1-5H3.
What are the key properties of 2-[bis(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile?
2-[bis(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile has a molecular weight of 245.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114765935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).