N-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)cyclobutyl]pyridin-2-amine;hydrochloride

C19H25ClN4O — CID 175332620

IUPACN-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)cyclobutyl]pyridin-2-amine;hydrochloride
SMILESCNc1cc(C2CC(c3cccc(N4CCOCC4)n3)C2)ccn1.Cl
InChIInChI=1S/C19H24N4O.ClH/c1-20-18-13-14(5-6-21-18)15-11-16(12-15)17-3-2-4-19(22-17)23-7-9-24-10-8-23;/h2-6,13,15-16H,7-12H2,1H3,(H,20,21);1H
InChIKeyIFWDECWRKNCWQC-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.44
Rot. Bonds4

About N-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)cyclobutyl]pyridin-2-amine;hydrochloride

N-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)cyclobutyl]pyridin-2-amine;hydrochloride (PubChem CID 175332620) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is N-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)cyclobutyl]pyridin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)cyclobutyl]pyridin-2-amine;hydrochloride
PubChem CID175332620
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC NameN-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)cyclobutyl]pyridin-2-amine;hydrochloride
SMILESCNc1cc(C2CC(c3cccc(N4CCOCC4)n3)C2)ccn1.Cl
InChIInChI=1S/C19H24N4O.ClH/c1-20-18-13-14(5-6-21-18)15-11-16(12-15)17-3-2-4-19(22-17)23-7-9-24-10-8-23;/h2-6,13,15-16H,7-12H2,1H3,(H,20,21);1H
InChIKeyIFWDECWRKNCWQC-UHFFFAOYSA-N
XLogP3.44
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)cyclobutyl]pyridin-2-amine;hydrochloride?
The IUPAC name of N-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)cyclobutyl]pyridin-2-amine;hydrochloride (CID 175332620) is N-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)cyclobutyl]pyridin-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)cyclobutyl]pyridin-2-amine;hydrochloride?
The canonical SMILES for N-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)cyclobutyl]pyridin-2-amine;hydrochloride is CNc1cc(C2CC(c3cccc(N4CCOCC4)n3)C2)ccn1.Cl.
What is the InChIKey of N-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)cyclobutyl]pyridin-2-amine;hydrochloride?
The InChIKey is IFWDECWRKNCWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O.ClH/c1-20-18-13-14(5-6-21-18)15-11-16(12-15)17-3-2-4-19(22-17)23-7-9-24-10-8-23;/h2-6,13,15-16H,7-12H2,1H3,(H,20,21);1H.
What are the key properties of N-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)cyclobutyl]pyridin-2-amine;hydrochloride?
N-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)cyclobutyl]pyridin-2-amine;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(6-morpholin-4-yl-2-pyridinyl)cyclobutyl]pyridin-2-amine;hydrochloride is sourced from PubChem (CID 175332620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).