2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile

C15H20ClN5 — CID 107061360

IUPAC2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC(N3CCC(N)CC3)C2)c1Cl
InChIInChI=1S/C15H20ClN5/c16-14-11(9-17)1-5-19-15(14)21-8-4-13(10-21)20-6-2-12(18)3-7-20/h1,5,12-13H,2-4,6-8,10,18H2
InChIKeyHSBGFYVRMVMXCR-UHFFFAOYSA-N
MW305.81 g/mol
LogP1.61
Rot. Bonds2

About 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile

2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile (PubChem CID 107061360) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile
PubChem CID107061360
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC(N3CCC(N)CC3)C2)c1Cl
InChIInChI=1S/C15H20ClN5/c16-14-11(9-17)1-5-19-15(14)21-8-4-13(10-21)20-6-2-12(18)3-7-20/h1,5,12-13H,2-4,6-8,10,18H2
InChIKeyHSBGFYVRMVMXCR-UHFFFAOYSA-N
XLogP1.61
TPSA69.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-2-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 107057088
3-chloro-2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile
CID 107057553
3-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 107058347
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]benzonitrile
CID 80553149
3-chloro-2-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile
CID 107057012
2-(3-aminopyrrolidin-1-yl)-3-nitropyridine-4-carbonitrile
CID 82813337
N-[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-4-yl]acetamide
CID 107058314
3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile
CID 82812744
2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752
1-(1-pyrimidin-2-ylpyrrolidin-3-yl)piperidin-4-amine
CID 80553075
3-chloro-2-(4-oxopiperidin-1-yl)pyridine-4-carbonitrile
CID 107059231
2-[[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 107061429

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile?
The IUPAC name of 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile (CID 107061360) is 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile is N#Cc1ccnc(N2CCC(N3CCC(N)CC3)C2)c1Cl.
What is the InChIKey of 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile?
The InChIKey is HSBGFYVRMVMXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c16-14-11(9-17)1-5-19-15(14)21-8-4-13(10-21)20-6-2-12(18)3-7-20/h1,5,12-13H,2-4,6-8,10,18H2.
What are the key properties of 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile?
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile has a molecular weight of 305.81 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile is sourced from PubChem (CID 107061360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).