2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine

C16H21N5 — CID 115982052

IUPAC2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine
SMILESCc1cccnc1CN1CCN(c2ncccc2N)CC1
InChIInChI=1S/C16H21N5/c1-13-4-2-6-18-15(13)12-20-8-10-21(11-9-20)16-14(17)5-3-7-19-16/h2-7H,8-12,17H2,1H3
InChIKeyKYTLZNPOCLAEHS-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.69
Rot. Bonds3

About 2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine

2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine (PubChem CID 115982052) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine
PubChem CID115982052
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine
SMILESCc1cccnc1CN1CCN(c2ncccc2N)CC1
InChIInChI=1S/C16H21N5/c1-13-4-2-6-18-15(13)12-20-8-10-21(11-9-20)16-14(17)5-3-7-19-16/h2-7H,8-12,17H2,1H3
InChIKeyKYTLZNPOCLAEHS-UHFFFAOYSA-N
XLogP1.69
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethyl-3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine
CID 146038387
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 112550205
6-(azepan-1-yl)-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 42199344
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
1-[(3-methyl-2-pyridinyl)methyl]-1,5-diazocane
CID 63306542
[4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine
CID 107160723
4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine
CID 165432585
5-[4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]pentan-1-amine
CID 115981865
2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyridin-3-amine
CID 63205864
2-[[4-(chloromethyl)piperidin-1-yl]methyl]-3-methylpyridine
CID 112651337
4-(difluoromethyl)-6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 171995161
7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine
CID 157019637

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine (CID 115982052) is 2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine is Cc1cccnc1CN1CCN(c2ncccc2N)CC1.
What is the InChIKey of 2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine?
The InChIKey is KYTLZNPOCLAEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-13-4-2-6-18-15(13)12-20-8-10-21(11-9-20)16-14(17)5-3-7-19-16/h2-7H,8-12,17H2,1H3.
What are the key properties of 2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine?
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine has a molecular weight of 283.38 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 115982052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).