2-[4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride

C18H25Cl2N7O — CID 154903586

IUPAC2-[4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1cccnc1N1CCN(c2cc(C3CC(N)C3)ncn2)CC1
InChIInChI=1S/C18H23N7O.2ClH/c19-13-8-12(9-13)15-10-16(23-11-22-15)24-4-6-25(7-5-24)18-14(17(20)26)2-1-3-21-18;;/h1-3,10-13H,4-9,19H2,(H2,20,26);2*1H
InChIKeyIFPQGPZDLIPFTD-UHFFFAOYSA-N
MW426.35 g/mol
LogP1.35
Rot. Bonds4

About 2-[4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride

2-[4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride (PubChem CID 154903586) has the molecular formula C18H25Cl2N7O and a molecular weight of 426.35 g/mol. Its IUPAC name is 2-[4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride
PubChem CID154903586
Molecular FormulaC18H25Cl2N7O
Molecular Weight426.35 g/mol
Exact Mass425.15
IUPAC Name2-[4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1cccnc1N1CCN(c2cc(C3CC(N)C3)ncn2)CC1
InChIInChI=1S/C18H23N7O.2ClH/c19-13-8-12(9-13)15-10-16(23-11-22-15)24-4-6-25(7-5-24)18-14(17(20)26)2-1-3-21-18;;/h1-3,10-13H,4-9,19H2,(H2,20,26);2*1H
InChIKeyIFPQGPZDLIPFTD-UHFFFAOYSA-N
XLogP1.35
TPSA114.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride with MolForge

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Related Compounds

3-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902365
4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;dihydrochloride
CID 154902625
3-[6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91770772
[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;dihydrochloride
CID 154902521
3-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91798327
2-(6-azaspiro[2.5]octan-6-yl)pyridine-3-carboxamide
CID 163287557
1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-ethylpiperidin-4-amine;dihydrochloride
CID 154902300
3-[6-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91792058
1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N-benzyl-N-methylpiperidin-4-amine;dihydrochloride
CID 154902683
2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 62062379
2-[4-(7H-purin-6-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 134697631
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 61015190

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 2-[4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride (CID 154903586) is 2-[4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 2-[4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 2-[4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride is Cl.Cl.NC(=O)c1cccnc1N1CCN(c2cc(C3CC(N)C3)ncn2)CC1.
What is the InChIKey of 2-[4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is IFPQGPZDLIPFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O.2ClH/c19-13-8-12(9-13)15-10-16(23-11-22-15)24-4-6-25(7-5-24)18-14(17(20)26)2-1-3-21-18;;/h1-3,10-13H,4-9,19H2,(H2,20,26);2*1H.
What are the key properties of 2-[4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride?
2-[4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 426.35 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 154903586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).