[4-(3-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone

C16H19N5O — CID 82331752

IUPAC[4-(3-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESCc1ccc(N)c(N2CCN(C(=O)c3cccnc3)CC2)n1
InChIInChI=1S/C16H19N5O/c1-12-4-5-14(17)15(19-12)20-7-9-21(10-8-20)16(22)13-3-2-6-18-11-13/h2-6,11H,7-10,17H2,1H3
InChIKeyMRNHQYUAWPTDHW-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.33
Rot. Bonds2

About [4-(3-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone

[4-(3-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 82331752) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is [4-(3-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(3-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID82331752
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name[4-(3-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESCc1ccc(N)c(N2CCN(C(=O)c3cccnc3)CC2)n1
InChIInChI=1S/C16H19N5O/c1-12-4-5-14(17)15(19-12)20-7-9-21(10-8-20)16(22)13-3-2-6-18-11-13/h2-6,11H,7-10,17H2,1H3
InChIKeyMRNHQYUAWPTDHW-UHFFFAOYSA-N
XLogP1.33
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(3-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 43461900
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
(2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 108533154
2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 84550110
[4-(2-methylphenyl)-1,4-diazepan-1-yl]-pyridin-3-ylmethanone
CID 70731187
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113076863
[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 39073313
[4-(4-amino-2-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 143096143
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 16764503
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 122334551
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
1,3,6-trimethyl-5-[4-(pyridine-3-carbonyl)piperazin-1-yl]pyrimidine-2,4-dione
CID 20932958

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(3-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone (CID 82331752) is [4-(3-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(3-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(3-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone is Cc1ccc(N)c(N2CCN(C(=O)c3cccnc3)CC2)n1.
What is the InChIKey of [4-(3-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is MRNHQYUAWPTDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-12-4-5-14(17)15(19-12)20-7-9-21(10-8-20)16(22)13-3-2-6-18-11-13/h2-6,11H,7-10,17H2,1H3.
What are the key properties of [4-(3-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone?
[4-(3-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 297.36 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 82331752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).