3-chloro-2-[cyclopropylmethyl(propyl)amino]pyridine-4-carbonitrile

C13H16ClN3 — CID 107057155

IUPAC3-chloro-2-[cyclopropylmethyl(propyl)amino]pyridine-4-carbonitrile
SMILESCCCN(CC1CC1)c1nccc(C#N)c1Cl
InChIInChI=1S/C13H16ClN3/c1-2-7-17(9-10-3-4-10)13-12(14)11(8-15)5-6-16-13/h5-6,10H,2-4,7,9H2,1H3
InChIKeyJZQVPJPGQNNPLP-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.23
Rot. Bonds5

About 3-chloro-2-[cyclopropylmethyl(propyl)amino]pyridine-4-carbonitrile

3-chloro-2-[cyclopropylmethyl(propyl)amino]pyridine-4-carbonitrile (PubChem CID 107057155) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 3-chloro-2-[cyclopropylmethyl(propyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[cyclopropylmethyl(propyl)amino]pyridine-4-carbonitrile
PubChem CID107057155
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name3-chloro-2-[cyclopropylmethyl(propyl)amino]pyridine-4-carbonitrile
SMILESCCCN(CC1CC1)c1nccc(C#N)c1Cl
InChIInChI=1S/C13H16ClN3/c1-2-7-17(9-10-3-4-10)13-12(14)11(8-15)5-6-16-13/h5-6,10H,2-4,7,9H2,1H3
InChIKeyJZQVPJPGQNNPLP-UHFFFAOYSA-N
XLogP3.23
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-4-cyano-2-pyridinyl)-(cyclopropylmethyl)amino]acetic acid
CID 107056300
3-amino-2-[bis(cyclopropylmethyl)amino]pyridine-4-carbonitrile
CID 82813472
3-chloro-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 107061419
3-chloro-2-[ethyl(methyl)amino]pyridine-4-carbonitrile
CID 107056896
3-chloro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
CID 107057707
3-N-(cyclopropylmethyl)-3-N-propylpyrazine-2,3-diamine
CID 102985764
3-chloro-2-[pentyl(propan-2-yl)amino]pyridine-4-carbonitrile
CID 107057326
3-(aminomethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine
CID 43587118
4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine
CID 107055569
3-(dipropylamino)pyridazine-4-carbonitrile
CID 80508670
3-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carbonitrile
CID 107058051
6-chloro-N-(cyclopropylmethyl)-5-methyl-N-propylpyrimidin-4-amine
CID 63729454

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[cyclopropylmethyl(propyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[cyclopropylmethyl(propyl)amino]pyridine-4-carbonitrile (CID 107057155) is 3-chloro-2-[cyclopropylmethyl(propyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[cyclopropylmethyl(propyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[cyclopropylmethyl(propyl)amino]pyridine-4-carbonitrile is CCCN(CC1CC1)c1nccc(C#N)c1Cl.
What is the InChIKey of 3-chloro-2-[cyclopropylmethyl(propyl)amino]pyridine-4-carbonitrile?
The InChIKey is JZQVPJPGQNNPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-2-7-17(9-10-3-4-10)13-12(14)11(8-15)5-6-16-13/h5-6,10H,2-4,7,9H2,1H3.
What are the key properties of 3-chloro-2-[cyclopropylmethyl(propyl)amino]pyridine-4-carbonitrile?
3-chloro-2-[cyclopropylmethyl(propyl)amino]pyridine-4-carbonitrile has a molecular weight of 249.74 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[cyclopropylmethyl(propyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 107057155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).