2-[2-(methylamino)propylamino]pyridine-3-carbonitrile

C10H14N4 — CID 126976361

IUPAC2-[2-(methylamino)propylamino]pyridine-3-carbonitrile
SMILESCNC(C)CNc1ncccc1C#N
InChIInChI=1S/C10H14N4/c1-8(12-2)7-14-10-9(6-11)4-3-5-13-10/h3-5,8,12H,7H2,1-2H3,(H,13,14)
InChIKeyHRQPFXBIWDTBBR-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.97
Rot. Bonds4

About 2-[2-(methylamino)propylamino]pyridine-3-carbonitrile

2-[2-(methylamino)propylamino]pyridine-3-carbonitrile (PubChem CID 126976361) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-[2-(methylamino)propylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(methylamino)propylamino]pyridine-3-carbonitrile
PubChem CID126976361
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2-[2-(methylamino)propylamino]pyridine-3-carbonitrile
SMILESCNC(C)CNc1ncccc1C#N
InChIInChI=1S/C10H14N4/c1-8(12-2)7-14-10-9(6-11)4-3-5-13-10/h3-5,8,12H,7H2,1-2H3,(H,13,14)
InChIKeyHRQPFXBIWDTBBR-UHFFFAOYSA-N
XLogP0.97
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyridine-3-carbonitrile
CID 103674836
2-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
CID 43372296
2-[(2-amino-2-methylpropyl)amino]pyridine-3-carbonitrile
CID 78954580
2-[[(3-cyano-2-pyridinyl)amino]methyl]pentanoic acid
CID 65224477
2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 24690844
2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile
CID 114617287
2-[[(2S)-2-(1,3-benzoxazol-2-yl)propyl]amino]pyridine-3-carbonitrile
CID 95971400
2-[[3-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]pyridine-3-carbonitrile
CID 133431142
2-[(3-cyano-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 102675423
2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 106328911
2-(3-methylsulfanylpropylamino)pyridine-3-carbonitrile
CID 63965471
2-(3-methoxypropylamino)pyridine-3-carbonitrile
CID 17221189

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)propylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-(methylamino)propylamino]pyridine-3-carbonitrile (CID 126976361) is 2-[2-(methylamino)propylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(methylamino)propylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(methylamino)propylamino]pyridine-3-carbonitrile is CNC(C)CNc1ncccc1C#N.
What is the InChIKey of 2-[2-(methylamino)propylamino]pyridine-3-carbonitrile?
The InChIKey is HRQPFXBIWDTBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-8(12-2)7-14-10-9(6-11)4-3-5-13-10/h3-5,8,12H,7H2,1-2H3,(H,13,14).
What are the key properties of 2-[2-(methylamino)propylamino]pyridine-3-carbonitrile?
2-[2-(methylamino)propylamino]pyridine-3-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)propylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 126976361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).