N-[cyclopropyl(pyridin-2-yl)methyl]-5-morpholin-4-ylpyridin-2-amine

C18H22N4O — CID 146141191

IUPACN-[cyclopropyl(pyridin-2-yl)methyl]-5-morpholin-4-ylpyridin-2-amine
SMILESc1ccc(C(Nc2ccc(N3CCOCC3)cn2)C2CC2)nc1
InChIInChI=1S/C18H22N4O/c1-2-8-19-16(3-1)18(14-4-5-14)21-17-7-6-15(13-20-17)22-9-11-23-12-10-22/h1-3,6-8,13-14,18H,4-5,9-12H2,(H,20,21)
InChIKeyCGMAIXHGGFXLCD-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.88
Rot. Bonds5

About N-[cyclopropyl(pyridin-2-yl)methyl]-5-morpholin-4-ylpyridin-2-amine

N-[cyclopropyl(pyridin-2-yl)methyl]-5-morpholin-4-ylpyridin-2-amine (PubChem CID 146141191) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[cyclopropyl(pyridin-2-yl)methyl]-5-morpholin-4-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[cyclopropyl(pyridin-2-yl)methyl]-5-morpholin-4-ylpyridin-2-amine
PubChem CID146141191
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[cyclopropyl(pyridin-2-yl)methyl]-5-morpholin-4-ylpyridin-2-amine
SMILESc1ccc(C(Nc2ccc(N3CCOCC3)cn2)C2CC2)nc1
InChIInChI=1S/C18H22N4O/c1-2-8-19-16(3-1)18(14-4-5-14)21-17-7-6-15(13-20-17)22-9-11-23-12-10-22/h1-3,6-8,13-14,18H,4-5,9-12H2,(H,20,21)
InChIKeyCGMAIXHGGFXLCD-UHFFFAOYSA-N
XLogP2.88
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(pyridin-2-yl)methyl]-5-morpholin-4-ylpyridin-2-amine?
The IUPAC name of N-[cyclopropyl(pyridin-2-yl)methyl]-5-morpholin-4-ylpyridin-2-amine (CID 146141191) is N-[cyclopropyl(pyridin-2-yl)methyl]-5-morpholin-4-ylpyridin-2-amine.
What is the SMILES notation for N-[cyclopropyl(pyridin-2-yl)methyl]-5-morpholin-4-ylpyridin-2-amine?
The canonical SMILES for N-[cyclopropyl(pyridin-2-yl)methyl]-5-morpholin-4-ylpyridin-2-amine is c1ccc(C(Nc2ccc(N3CCOCC3)cn2)C2CC2)nc1.
What is the InChIKey of N-[cyclopropyl(pyridin-2-yl)methyl]-5-morpholin-4-ylpyridin-2-amine?
The InChIKey is CGMAIXHGGFXLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-8-19-16(3-1)18(14-4-5-14)21-17-7-6-15(13-20-17)22-9-11-23-12-10-22/h1-3,6-8,13-14,18H,4-5,9-12H2,(H,20,21).
What are the key properties of N-[cyclopropyl(pyridin-2-yl)methyl]-5-morpholin-4-ylpyridin-2-amine?
N-[cyclopropyl(pyridin-2-yl)methyl]-5-morpholin-4-ylpyridin-2-amine has a molecular weight of 310.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(pyridin-2-yl)methyl]-5-morpholin-4-ylpyridin-2-amine is sourced from PubChem (CID 146141191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).