3-[4-[(7-chloro-1,6-naphthyridin-5-yl)amino]-2-ethyl-6-methylpiperidin-1-yl]propanenitrile

C19H24ClN5 — CID 146645217

IUPAC3-[4-[(7-chloro-1,6-naphthyridin-5-yl)amino]-2-ethyl-6-methylpiperidin-1-yl]propanenitrile
SMILESCCC1CC(Nc2nc(Cl)cc3ncccc23)CC(C)N1CCC#N
InChIInChI=1S/C19H24ClN5/c1-3-15-11-14(10-13(2)25(15)9-5-7-21)23-19-16-6-4-8-22-17(16)12-18(20)24-19/h4,6,8,12-15H,3,5,9-11H2,1-2H3,(H,23,24)
InChIKeyJCWKCZGZNFCFOB-UHFFFAOYSA-N
MW357.89 g/mol
LogP4.24
Rot. Bonds5

About 3-[4-[(7-chloro-1,6-naphthyridin-5-yl)amino]-2-ethyl-6-methylpiperidin-1-yl]propanenitrile

3-[4-[(7-chloro-1,6-naphthyridin-5-yl)amino]-2-ethyl-6-methylpiperidin-1-yl]propanenitrile (PubChem CID 146645217) has the molecular formula C19H24ClN5 and a molecular weight of 357.89 g/mol. Its IUPAC name is 3-[4-[(7-chloro-1,6-naphthyridin-5-yl)amino]-2-ethyl-6-methylpiperidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-[(7-chloro-1,6-naphthyridin-5-yl)amino]-2-ethyl-6-methylpiperidin-1-yl]propanenitrile
PubChem CID146645217
Molecular FormulaC19H24ClN5
Molecular Weight357.89 g/mol
Exact Mass357.17
IUPAC Name3-[4-[(7-chloro-1,6-naphthyridin-5-yl)amino]-2-ethyl-6-methylpiperidin-1-yl]propanenitrile
SMILESCCC1CC(Nc2nc(Cl)cc3ncccc23)CC(C)N1CCC#N
InChIInChI=1S/C19H24ClN5/c1-3-15-11-14(10-13(2)25(15)9-5-7-21)23-19-16-6-4-8-22-17(16)12-18(20)24-19/h4,6,8,12-15H,3,5,9-11H2,1-2H3,(H,23,24)
InChIKeyJCWKCZGZNFCFOB-UHFFFAOYSA-N
XLogP4.24
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[2,6-diethyl-4-[[7-[[5-(hydroxymethyl)-1H-pyrazol-3-yl]amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile
CID 146645966
3-[(1R,5S)-3-[[7-[(5-ethyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146645173
3-[3-[[7-[(2-methyl-1H-imidazol-5-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 166769974
3-[(1R,5S)-3-[[7-[(5-methyl-1-propan-2-ylpyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 171457733
3-[(1R,5S)-3-[[7-(1H-indazol-3-ylamino)-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146644770
3-[(1R,5S)-3-[[7-[(5-methyl-1,3-thiazol-2-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146645176
(3aR,6aS)-5-[(7-chloro-1,6-naphthyridin-5-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 175054495
3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 166769956
3-[(1R,5S)-3-[[7-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146645179
3-[2,6-diethyl-4-[[3-fluoro-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile
CID 146645979
3-[2,6-diethyl-4-[methyl-[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile
CID 146645809
3-[3-[[7-[[5-(1-hydroxypropan-2-yl)-1,3-thiazol-2-yl]amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 166770016

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(7-chloro-1,6-naphthyridin-5-yl)amino]-2-ethyl-6-methylpiperidin-1-yl]propanenitrile?
The IUPAC name of 3-[4-[(7-chloro-1,6-naphthyridin-5-yl)amino]-2-ethyl-6-methylpiperidin-1-yl]propanenitrile (CID 146645217) is 3-[4-[(7-chloro-1,6-naphthyridin-5-yl)amino]-2-ethyl-6-methylpiperidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-[(7-chloro-1,6-naphthyridin-5-yl)amino]-2-ethyl-6-methylpiperidin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-[(7-chloro-1,6-naphthyridin-5-yl)amino]-2-ethyl-6-methylpiperidin-1-yl]propanenitrile is CCC1CC(Nc2nc(Cl)cc3ncccc23)CC(C)N1CCC#N.
What is the InChIKey of 3-[4-[(7-chloro-1,6-naphthyridin-5-yl)amino]-2-ethyl-6-methylpiperidin-1-yl]propanenitrile?
The InChIKey is JCWKCZGZNFCFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5/c1-3-15-11-14(10-13(2)25(15)9-5-7-21)23-19-16-6-4-8-22-17(16)12-18(20)24-19/h4,6,8,12-15H,3,5,9-11H2,1-2H3,(H,23,24).
What are the key properties of 3-[4-[(7-chloro-1,6-naphthyridin-5-yl)amino]-2-ethyl-6-methylpiperidin-1-yl]propanenitrile?
3-[4-[(7-chloro-1,6-naphthyridin-5-yl)amino]-2-ethyl-6-methylpiperidin-1-yl]propanenitrile has a molecular weight of 357.89 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(7-chloro-1,6-naphthyridin-5-yl)amino]-2-ethyl-6-methylpiperidin-1-yl]propanenitrile is sourced from PubChem (CID 146645217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).