N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-3-morpholin-4-ylbutanamide

C15H22ClN3O2 — CID 56875692

IUPACN-[(2-chloro-3-pyridinyl)methyl]-N-methyl-3-morpholin-4-ylbutanamide
SMILESCC(CC(=O)N(C)Cc1cccnc1Cl)N1CCOCC1
InChIInChI=1S/C15H22ClN3O2/c1-12(19-6-8-21-9-7-19)10-14(20)18(2)11-13-4-3-5-17-15(13)16/h3-5,12H,6-11H2,1-2H3
InChIKeyBWSXYRUUULXAAL-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.80
Rot. Bonds5

About N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-3-morpholin-4-ylbutanamide

N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-3-morpholin-4-ylbutanamide (PubChem CID 56875692) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-3-morpholin-4-ylbutanamide.

Molecular Properties

Compound NameN-[(2-chloro-3-pyridinyl)methyl]-N-methyl-3-morpholin-4-ylbutanamide
PubChem CID56875692
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-[(2-chloro-3-pyridinyl)methyl]-N-methyl-3-morpholin-4-ylbutanamide
SMILESCC(CC(=O)N(C)Cc1cccnc1Cl)N1CCOCC1
InChIInChI=1S/C15H22ClN3O2/c1-12(19-6-8-21-9-7-19)10-14(20)18(2)11-13-4-3-5-17-15(13)16/h3-5,12H,6-11H2,1-2H3
InChIKeyBWSXYRUUULXAAL-UHFFFAOYSA-N
XLogP1.80
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-3-morpholin-4-ylbutanamide 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

N-[(6-chloropyridin-3-yl)methyl]-N-methylacetamide
CID 59843549
Nicopholine
CID 68116
6-Chloro-N-(2-morpholinoethyl)nicotinamide
CID 1228702
(2-Chloropyridin-3-yl)(morpholin-4-yl)methanone
CID 2063428
6-Chloro-N-(3-morpholinopropyl)nicotinamide
CID 17144214
2-Chloro-N-(2-morpholinoethyl)nicotinamide
CID 3466480
1-{4-[(6-Chloro-3-pyridinyl)methyl]piperazino}-1-ethanone
CID 1473079
Ethyl 1-[(6-chloro-3-pyridinyl)methyl]-4-piperidinecarboxylate
CID 1473526
4-(6-Chloropyridine-3-carbonyl)morpholine
CID 857499
2-Chloro-N-(3-morpholinopropyl)nicotinamide
CID 4124566
N-(3-Morpholin-4-yl-propyl)-N-pyridin-4-ylmethyl-acetamide
CID 9549613
1-[(6-Chloropyridin-3-yl)methyl]piperidin-2-one
CID 3745943

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-3-morpholin-4-ylbutanamide?
The IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-3-morpholin-4-ylbutanamide (CID 56875692) is N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-3-morpholin-4-ylbutanamide.
What is the SMILES notation for N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-3-morpholin-4-ylbutanamide?
The canonical SMILES for N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-3-morpholin-4-ylbutanamide is CC(CC(=O)N(C)Cc1cccnc1Cl)N1CCOCC1.
What is the InChIKey of N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-3-morpholin-4-ylbutanamide?
The InChIKey is BWSXYRUUULXAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-12(19-6-8-21-9-7-19)10-14(20)18(2)11-13-4-3-5-17-15(13)16/h3-5,12H,6-11H2,1-2H3.
What are the key properties of N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-3-morpholin-4-ylbutanamide?
N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-3-morpholin-4-ylbutanamide has a molecular weight of 311.81 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-3-morpholin-4-ylbutanamide is sourced from PubChem (CID 56875692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).