N'-amino-2-[3-[2-chloro-6-(ethylamino)-4-pyridinyl]oxetan-3-yl]-N-ethyl-N-methylethanimidamide

C15H24ClN5O — CID 169179703

IUPACN'-amino-2-[3-[2-chloro-6-(ethylamino)-4-pyridinyl]oxetan-3-yl]-N-ethyl-N-methylethanimidamide
SMILESCCNc1cc(C2(C/C(=N/N)N(C)CC)COC2)cc(Cl)n1
InChIInChI=1S/C15H24ClN5O/c1-4-18-13-7-11(6-12(16)19-13)15(9-22-10-15)8-14(20-17)21(3)5-2/h6-7H,4-5,8-10,17H2,1-3H3,(H,18,19)/b20-14-
InChIKeyMWVAELZSTQZYTP-ZHZULCJRSA-N
MW325.84 g/mol
LogP2.05
Rot. Bonds6

About N'-amino-2-[3-[2-chloro-6-(ethylamino)-4-pyridinyl]oxetan-3-yl]-N-ethyl-N-methylethanimidamide

N'-amino-2-[3-[2-chloro-6-(ethylamino)-4-pyridinyl]oxetan-3-yl]-N-ethyl-N-methylethanimidamide (PubChem CID 169179703) has the molecular formula C15H24ClN5O and a molecular weight of 325.84 g/mol. Its IUPAC name is N'-amino-2-[3-[2-chloro-6-(ethylamino)-4-pyridinyl]oxetan-3-yl]-N-ethyl-N-methylethanimidamide.

Molecular Properties

Compound NameN'-amino-2-[3-[2-chloro-6-(ethylamino)-4-pyridinyl]oxetan-3-yl]-N-ethyl-N-methylethanimidamide
PubChem CID169179703
Molecular FormulaC15H24ClN5O
Molecular Weight325.84 g/mol
Exact Mass325.17
IUPAC NameN'-amino-2-[3-[2-chloro-6-(ethylamino)-4-pyridinyl]oxetan-3-yl]-N-ethyl-N-methylethanimidamide
SMILESCCNc1cc(C2(C/C(=N/N)N(C)CC)COC2)cc(Cl)n1
InChIInChI=1S/C15H24ClN5O/c1-4-18-13-7-11(6-12(16)19-13)15(9-22-10-15)8-14(20-17)21(3)5-2/h6-7H,4-5,8-10,17H2,1-3H3,(H,18,19)/b20-14-
InChIKeyMWVAELZSTQZYTP-ZHZULCJRSA-N
XLogP2.05
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-amino-2-[3-[2-chloro-6-(ethylamino)-4-pyridinyl]oxetan-3-yl]-N-ethyl-N-methylethanimidamide 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

6-chloro-N-(4-methoxybutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715756
6-chloro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 105793053
6-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 105851687
6-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 105851796
6-chloro-N-(4-methoxy-2,2-dimethylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 105900528
6-chloro-N-[(4-methyloxan-4-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 105900952
6-chloro-N-[2-(oxolan-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 105938377
4-[[6-Chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol
CID 106149299
5-[[6-Chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol
CID 106149360
6-chloro-N-(5-methoxypentyl)-4-(trifluoromethyl)pyridin-2-amine
CID 114131004
5-[[6-Chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpentan-1-ol
CID 114152170
6-chloro-5-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 58127446

Frequently Asked Questions

What is the IUPAC name of N'-amino-2-[3-[2-chloro-6-(ethylamino)-4-pyridinyl]oxetan-3-yl]-N-ethyl-N-methylethanimidamide?
The IUPAC name of N'-amino-2-[3-[2-chloro-6-(ethylamino)-4-pyridinyl]oxetan-3-yl]-N-ethyl-N-methylethanimidamide (CID 169179703) is N'-amino-2-[3-[2-chloro-6-(ethylamino)-4-pyridinyl]oxetan-3-yl]-N-ethyl-N-methylethanimidamide.
What is the SMILES notation for N'-amino-2-[3-[2-chloro-6-(ethylamino)-4-pyridinyl]oxetan-3-yl]-N-ethyl-N-methylethanimidamide?
The canonical SMILES for N'-amino-2-[3-[2-chloro-6-(ethylamino)-4-pyridinyl]oxetan-3-yl]-N-ethyl-N-methylethanimidamide is CCNc1cc(C2(C/C(=N/N)N(C)CC)COC2)cc(Cl)n1.
What is the InChIKey of N'-amino-2-[3-[2-chloro-6-(ethylamino)-4-pyridinyl]oxetan-3-yl]-N-ethyl-N-methylethanimidamide?
The InChIKey is MWVAELZSTQZYTP-ZHZULCJRSA-N. The full InChI is InChI=1S/C15H24ClN5O/c1-4-18-13-7-11(6-12(16)19-13)15(9-22-10-15)8-14(20-17)21(3)5-2/h6-7H,4-5,8-10,17H2,1-3H3,(H,18,19)/b20-14-.
What are the key properties of N'-amino-2-[3-[2-chloro-6-(ethylamino)-4-pyridinyl]oxetan-3-yl]-N-ethyl-N-methylethanimidamide?
N'-amino-2-[3-[2-chloro-6-(ethylamino)-4-pyridinyl]oxetan-3-yl]-N-ethyl-N-methylethanimidamide has a molecular weight of 325.84 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-[3-[2-chloro-6-(ethylamino)-4-pyridinyl]oxetan-3-yl]-N-ethyl-N-methylethanimidamide is sourced from PubChem (CID 169179703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).