4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile

C14H20N4 — CID 62994209

IUPAC4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile
SMILESCC(CNc1ccnc(C#N)c1)CN1CCCC1
InChIInChI=1S/C14H20N4/c1-12(11-18-6-2-3-7-18)10-17-13-4-5-16-14(8-13)9-15/h4-5,8,12H,2-3,6-7,10-11H2,1H3,(H,16,17)
InChIKeyPKBMOTZAZRUDOD-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.10
Rot. Bonds5

About 4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile

4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile (PubChem CID 62994209) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile
PubChem CID62994209
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile
SMILESCC(CNc1ccnc(C#N)c1)CN1CCCC1
InChIInChI=1S/C14H20N4/c1-12(11-18-6-2-3-7-18)10-17-13-4-5-16-14(8-13)9-15/h4-5,8,12H,2-3,6-7,10-11H2,1H3,(H,16,17)
InChIKeyPKBMOTZAZRUDOD-UHFFFAOYSA-N
XLogP2.10
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbonitrile
CID 107544433
4-(2,3-dimethylbutylamino)pyridine-2-carbonitrile
CID 64596884
4-(3-pyrrolidin-1-ylpropylamino)pyridine-2-carbonitrile
CID 55136840
N,N-dimethyl-4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carboxamide
CID 62992312
4-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carbonitrile
CID 114132679
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-3-nitropyridine-4-carbonitrile
CID 80711380
2-methyl-6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-4-carbonitrile
CID 114766247
4-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
CID 62990067
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 133297711
4,6-dimethyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 62992143
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66331043
4-(5-methylhexylamino)pyridine-2-carbonitrile
CID 115325582

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile (CID 62994209) is 4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile is CC(CNc1ccnc(C#N)c1)CN1CCCC1.
What is the InChIKey of 4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile?
The InChIKey is PKBMOTZAZRUDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-12(11-18-6-2-3-7-18)10-17-13-4-5-16-14(8-13)9-15/h4-5,8,12H,2-3,6-7,10-11H2,1H3,(H,16,17).
What are the key properties of 4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile?
4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 62994209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).