3-chloro-6-[3-imidazol-1-ylpropyl(methyl)amino]pyridine-2-carbonitrile

C13H14ClN5 — CID 133376519

IUPAC3-chloro-6-[3-imidazol-1-ylpropyl(methyl)amino]pyridine-2-carbonitrile
SMILESCN(CCCn1ccnc1)c1ccc(Cl)c(C#N)n1
InChIInChI=1S/C13H14ClN5/c1-18(6-2-7-19-8-5-16-10-19)13-4-3-11(14)12(9-15)17-13/h3-5,8,10H,2,6-7H2,1H3
InChIKeyAFBKIVFLEFVPKB-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.33
Rot. Bonds5

About 3-chloro-6-[3-imidazol-1-ylpropyl(methyl)amino]pyridine-2-carbonitrile

3-chloro-6-[3-imidazol-1-ylpropyl(methyl)amino]pyridine-2-carbonitrile (PubChem CID 133376519) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-chloro-6-[3-imidazol-1-ylpropyl(methyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[3-imidazol-1-ylpropyl(methyl)amino]pyridine-2-carbonitrile
PubChem CID133376519
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC Name3-chloro-6-[3-imidazol-1-ylpropyl(methyl)amino]pyridine-2-carbonitrile
SMILESCN(CCCn1ccnc1)c1ccc(Cl)c(C#N)n1
InChIInChI=1S/C13H14ClN5/c1-18(6-2-7-19-8-5-16-10-19)13-4-3-11(14)12(9-15)17-13/h3-5,8,10H,2,6-7H2,1H3
InChIKeyAFBKIVFLEFVPKB-UHFFFAOYSA-N
XLogP2.33
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-[3-imidazol-1-ylpropyl(methyl)amino]benzonitrile
CID 133376620
N-(3-imidazol-1-ylpropyl)-N,4-dimethylpyrimidin-2-amine
CID 133376553
6-ethyl-N-(3-imidazol-1-ylpropyl)-N,2-dimethylpyrimidin-4-amine
CID 133472744
4-chloro-2-N-(3-imidazol-1-ylpropyl)-2-N-methylbenzene-1,2-diamine
CID 107466060
6-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylamino]-3-chloropyridine-2-carbonitrile
CID 133497042
N-[2-(4-chlorophenoxy)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine
CID 18349582
3-amino-6-[3-(dimethylamino)propyl-methylamino]pyridine-2-carbonitrile
CID 103468460
4-imidazol-1-ylbutanenitrile
CID 10855507
N-(3-imidazol-1-ylpropyl)-N,2-dimethylquinolin-4-amine
CID 133376584
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine
CID 97020997
1-[2-fluoro-6-[3-imidazol-1-ylpropyl(methyl)amino]phenyl]ethanone
CID 133376158
3-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 133376676

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[3-imidazol-1-ylpropyl(methyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[3-imidazol-1-ylpropyl(methyl)amino]pyridine-2-carbonitrile (CID 133376519) is 3-chloro-6-[3-imidazol-1-ylpropyl(methyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[3-imidazol-1-ylpropyl(methyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[3-imidazol-1-ylpropyl(methyl)amino]pyridine-2-carbonitrile is CN(CCCn1ccnc1)c1ccc(Cl)c(C#N)n1.
What is the InChIKey of 3-chloro-6-[3-imidazol-1-ylpropyl(methyl)amino]pyridine-2-carbonitrile?
The InChIKey is AFBKIVFLEFVPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5/c1-18(6-2-7-19-8-5-16-10-19)13-4-3-11(14)12(9-15)17-13/h3-5,8,10H,2,6-7H2,1H3.
What are the key properties of 3-chloro-6-[3-imidazol-1-ylpropyl(methyl)amino]pyridine-2-carbonitrile?
3-chloro-6-[3-imidazol-1-ylpropyl(methyl)amino]pyridine-2-carbonitrile has a molecular weight of 275.74 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[3-imidazol-1-ylpropyl(methyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 133376519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).