3-chloro-2-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile

C13H17ClN4 — CID 107057012

IUPAC3-chloro-2-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile
SMILESCN(C)C1CCN(c2nccc(C#N)c2Cl)CC1
InChIInChI=1S/C13H17ClN4/c1-17(2)11-4-7-18(8-5-11)13-12(14)10(9-15)3-6-16-13/h3,6,11H,4-5,7-8H2,1-2H3
InChIKeyAYMXRDVMZIMPIZ-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.14
Rot. Bonds2

About 3-chloro-2-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile

3-chloro-2-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile (PubChem CID 107057012) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 3-chloro-2-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile
PubChem CID107057012
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name3-chloro-2-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile
SMILESCN(C)C1CCN(c2nccc(C#N)c2Cl)CC1
InChIInChI=1S/C13H17ClN4/c1-17(2)11-4-7-18(8-5-11)13-12(14)10(9-15)3-6-16-13/h3,6,11H,4-5,7-8H2,1-2H3
InChIKeyAYMXRDVMZIMPIZ-UHFFFAOYSA-N
XLogP2.14
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 107057088
3-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 107058347
N-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-4-yl]acetamide
CID 107058314
3-chloro-2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile
CID 107057553
3-chloro-2-(4-oxopiperidin-1-yl)pyridine-4-carbonitrile
CID 107059231
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile
CID 107061360
1-(3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine
CID 106876604
2-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
CID 107056581
2-[4-(dimethylamino)piperidin-1-yl]-5-ethylbenzonitrile
CID 139410160
3-chloro-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-4-carbonitrile
CID 107058535
2-[2-(aminomethyl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile
CID 107061376
5-(bromomethyl)-2-[4-(dimethylamino)piperidin-1-yl]benzonitrile
CID 114063537

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile (CID 107057012) is 3-chloro-2-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile is CN(C)C1CCN(c2nccc(C#N)c2Cl)CC1.
What is the InChIKey of 3-chloro-2-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is AYMXRDVMZIMPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-17(2)11-4-7-18(8-5-11)13-12(14)10(9-15)3-6-16-13/h3,6,11H,4-5,7-8H2,1-2H3.
What are the key properties of 3-chloro-2-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile?
3-chloro-2-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 264.76 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 107057012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).