N-[1-[2-chloro-3-methyl-6-(3-methylmorpholin-4-yl)-4-pyridinyl]cyclopropyl]oxymethanamine

C15H22ClN3O2 — CID 166928271

IUPACN-[1-[2-chloro-3-methyl-6-(3-methylmorpholin-4-yl)-4-pyridinyl]cyclopropyl]oxymethanamine
SMILESCNOC1(c2cc(N3CCOCC3C)nc(Cl)c2C)CC1
InChIInChI=1S/C15H22ClN3O2/c1-10-9-20-7-6-19(10)13-8-12(11(2)14(16)18-13)15(4-5-15)21-17-3/h8,10,17H,4-7,9H2,1-3H3
InChIKeyNEMYVOPIWSDHGT-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.41
Rot. Bonds4

About N-[1-[2-chloro-3-methyl-6-(3-methylmorpholin-4-yl)-4-pyridinyl]cyclopropyl]oxymethanamine

N-[1-[2-chloro-3-methyl-6-(3-methylmorpholin-4-yl)-4-pyridinyl]cyclopropyl]oxymethanamine (PubChem CID 166928271) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-[1-[2-chloro-3-methyl-6-(3-methylmorpholin-4-yl)-4-pyridinyl]cyclopropyl]oxymethanamine.

Molecular Properties

Compound NameN-[1-[2-chloro-3-methyl-6-(3-methylmorpholin-4-yl)-4-pyridinyl]cyclopropyl]oxymethanamine
PubChem CID166928271
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-[1-[2-chloro-3-methyl-6-(3-methylmorpholin-4-yl)-4-pyridinyl]cyclopropyl]oxymethanamine
SMILESCNOC1(c2cc(N3CCOCC3C)nc(Cl)c2C)CC1
InChIInChI=1S/C15H22ClN3O2/c1-10-9-20-7-6-19(10)13-8-12(11(2)14(16)18-13)15(4-5-15)21-17-3/h8,10,17H,4-7,9H2,1-3H3
InChIKeyNEMYVOPIWSDHGT-UHFFFAOYSA-N
XLogP2.41
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
CID 62483626
(3R)-4-[6-chloro-5-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]-3-methylmorpholine
CID 166928268
4-[6-chloro-5-methyl-4-(methylsulfonylmethyl)-2-pyridinyl]-3-methylmorpholine
CID 175431914
4-(4-chloro-6-methyl-2-pyridinyl)-3-methylmorpholine
CID 166928502
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
4-(6-chloropyrazin-2-yl)-3-methylmorpholine
CID 61360365
2-[4-chloro-6-(3-methylmorpholin-4-yl)-2-pyridinyl]propan-2-ol
CID 166983217
N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine
CID 146533977
CID 167996467
CID 167996467
(3R)-4-[6-chloro-4-(4-methylsulfonyloxan-4-yl)-2-pyridinyl]-3-methylmorpholine
CID 166927953
3,5-dichloro-N-methyl-6-(3-methylmorpholin-4-yl)pyridin-2-amine
CID 102756106
4-(4,8-dichloro-1,7-naphthyridin-2-yl)-3-methylmorpholine
CID 134446451

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-chloro-3-methyl-6-(3-methylmorpholin-4-yl)-4-pyridinyl]cyclopropyl]oxymethanamine?
The IUPAC name of N-[1-[2-chloro-3-methyl-6-(3-methylmorpholin-4-yl)-4-pyridinyl]cyclopropyl]oxymethanamine (CID 166928271) is N-[1-[2-chloro-3-methyl-6-(3-methylmorpholin-4-yl)-4-pyridinyl]cyclopropyl]oxymethanamine.
What is the SMILES notation for N-[1-[2-chloro-3-methyl-6-(3-methylmorpholin-4-yl)-4-pyridinyl]cyclopropyl]oxymethanamine?
The canonical SMILES for N-[1-[2-chloro-3-methyl-6-(3-methylmorpholin-4-yl)-4-pyridinyl]cyclopropyl]oxymethanamine is CNOC1(c2cc(N3CCOCC3C)nc(Cl)c2C)CC1.
What is the InChIKey of N-[1-[2-chloro-3-methyl-6-(3-methylmorpholin-4-yl)-4-pyridinyl]cyclopropyl]oxymethanamine?
The InChIKey is NEMYVOPIWSDHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-10-9-20-7-6-19(10)13-8-12(11(2)14(16)18-13)15(4-5-15)21-17-3/h8,10,17H,4-7,9H2,1-3H3.
What are the key properties of N-[1-[2-chloro-3-methyl-6-(3-methylmorpholin-4-yl)-4-pyridinyl]cyclopropyl]oxymethanamine?
N-[1-[2-chloro-3-methyl-6-(3-methylmorpholin-4-yl)-4-pyridinyl]cyclopropyl]oxymethanamine has a molecular weight of 311.81 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-chloro-3-methyl-6-(3-methylmorpholin-4-yl)-4-pyridinyl]cyclopropyl]oxymethanamine is sourced from PubChem (CID 166928271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).