4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile

C13H19N3 — CID 103829289

IUPAC4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile
SMILESCCC(C)(CC)NCc1ccnc(C#N)c1
InChIInChI=1S/C13H19N3/c1-4-13(3,5-2)16-10-11-6-7-15-12(8-11)9-14/h6-8,16H,4-5,10H2,1-3H3
InChIKeyWGUCYPFPDLUARD-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.62
Rot. Bonds5

About 4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile

4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile (PubChem CID 103829289) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile
PubChem CID103829289
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile
SMILESCCC(C)(CC)NCc1ccnc(C#N)c1
InChIInChI=1S/C13H19N3/c1-4-13(3,5-2)16-10-11-6-7-15-12(8-11)9-14/h6-8,16H,4-5,10H2,1-3H3
InChIKeyWGUCYPFPDLUARD-UHFFFAOYSA-N
XLogP2.62
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]pyridine-2-carbonitrile
CID 107865267
4-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]pyridine-2-carbonitrile
CID 107852402
2-[(2-cyano-4-pyridinyl)methylamino]-2-methylpentanoic acid
CID 63882556
4-[(3,3-dimethylbutan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 115752803
4-[(4-methylanilino)methyl]pyridine-2-carbonitrile
CID 63882858
4-[[(4-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carbonitrile
CID 134244020
4-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile
CID 63881092
4-[(4-butylanilino)methyl]pyridine-2-carbonitrile
CID 63880716
4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile
CID 63887670
4-[(4-methylsulfanylanilino)methyl]pyridine-2-carbonitrile
CID 63888074
(2-cyano-4-pyridinyl)methylcarbamic acid
CID 126744334
4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]pyridine-2-carbonitrile
CID 107462739

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile (CID 103829289) is 4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile is CCC(C)(CC)NCc1ccnc(C#N)c1.
What is the InChIKey of 4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile?
The InChIKey is WGUCYPFPDLUARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-4-13(3,5-2)16-10-11-6-7-15-12(8-11)9-14/h6-8,16H,4-5,10H2,1-3H3.
What are the key properties of 4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile?
4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile has a molecular weight of 217.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 103829289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).