2-[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)amino]pyridine-3-carbonitrile

C16H15Cl2N3O — CID 133384106

IUPAC2-[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N(CCCO)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2N3O/c17-14-5-4-12(9-15(14)18)11-21(7-2-8-22)16-13(10-19)3-1-6-20-16/h1,3-6,9,22H,2,7-8,11H2
InChIKeyQUYUJVYMDMUSLZ-UHFFFAOYSA-N
MW336.22 g/mol
LogP3.65
Rot. Bonds6

About 2-[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)amino]pyridine-3-carbonitrile

2-[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)amino]pyridine-3-carbonitrile (PubChem CID 133384106) has the molecular formula C16H15Cl2N3O and a molecular weight of 336.22 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)amino]pyridine-3-carbonitrile
PubChem CID133384106
Molecular FormulaC16H15Cl2N3O
Molecular Weight336.22 g/mol
Exact Mass335.06
IUPAC Name2-[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N(CCCO)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2N3O/c17-14-5-4-12(9-15(14)18)11-21(7-2-8-22)16-13(10-19)3-1-6-20-16/h1,3-6,9,22H,2,7-8,11H2
InChIKeyQUYUJVYMDMUSLZ-UHFFFAOYSA-N
XLogP3.65
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(2-hydroxyethyl)amino]-3-chloropyridine-4-carbonitrile
CID 107057524
2-(diethylamino)pyridine-3-carbonitrile
CID 10012430
2-chloro-4-[2-hydroxyethyl(pyridin-3-ylmethyl)amino]benzonitrile
CID 71976590
1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-pyridin-3-ylurea
CID 47815542
2-[2-aminoethyl(ethyl)amino]pyridine-3-carbonitrile
CID 114900544
3-[N-[(6-chloro-3-pyridinyl)methyl]anilino]propan-1-ol
CID 111859985
2-[(5-bromo-2-hydroxyphenyl)methyl-ethylamino]pyridine-3-carbonitrile
CID 133381071
2-[(3,4-dichlorophenyl)methylsulfanylmethyl]benzonitrile
CID 94804911
3-(3-acetylphenyl)-1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)urea
CID 52821871
1-[(3,4-dichlorophenyl)methyl]-1-(3-hydroxypropyl)-3-(4-nitrophenyl)urea
CID 47815545
2-[(4-aminophenyl)methyl-cyclopropylamino]pyridine-3-carbonitrile
CID 60876489
2-[ethyl(prop-2-enyl)amino]pyridine-3-carbonitrile
CID 78958811

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)amino]pyridine-3-carbonitrile (CID 133384106) is 2-[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)amino]pyridine-3-carbonitrile is N#Cc1cccnc1N(CCCO)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)amino]pyridine-3-carbonitrile?
The InChIKey is QUYUJVYMDMUSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O/c17-14-5-4-12(9-15(14)18)11-21(7-2-8-22)16-13(10-19)3-1-6-20-16/h1,3-6,9,22H,2,7-8,11H2.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)amino]pyridine-3-carbonitrile?
2-[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)amino]pyridine-3-carbonitrile has a molecular weight of 336.22 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 133384106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).