6-chloro-3-methanimidoyl-4-[(1-methylazetidin-3-yl)methoxy]-N-(oxan-2-yl)pyridin-2-amine

C16H23ClN4O2 — CID 142525089

IUPAC6-chloro-3-methanimidoyl-4-[(1-methylazetidin-3-yl)methoxy]-N-(oxan-2-yl)pyridin-2-amine
SMILES[H]/N=C/c1c(OCC2CN(C)C2)cc(Cl)nc1NC1CCCCO1
InChIInChI=1S/C16H23ClN4O2/c1-21-8-11(9-21)10-23-13-6-14(17)19-16(12(13)7-18)20-15-4-2-3-5-22-15/h6-7,11,15,18H,2-5,8-10H2,1H3,(H,19,20)/b18-7+
InChIKeyRRLKXWOYAOJSDP-CNHKJKLMSA-N
MW338.84 g/mol
LogP2.61
Rot. Bonds6

About 6-chloro-3-methanimidoyl-4-[(1-methylazetidin-3-yl)methoxy]-N-(oxan-2-yl)pyridin-2-amine

6-chloro-3-methanimidoyl-4-[(1-methylazetidin-3-yl)methoxy]-N-(oxan-2-yl)pyridin-2-amine (PubChem CID 142525089) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 6-chloro-3-methanimidoyl-4-[(1-methylazetidin-3-yl)methoxy]-N-(oxan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-3-methanimidoyl-4-[(1-methylazetidin-3-yl)methoxy]-N-(oxan-2-yl)pyridin-2-amine
PubChem CID142525089
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name6-chloro-3-methanimidoyl-4-[(1-methylazetidin-3-yl)methoxy]-N-(oxan-2-yl)pyridin-2-amine
SMILES[H]/N=C/c1c(OCC2CN(C)C2)cc(Cl)nc1NC1CCCCO1
InChIInChI=1S/C16H23ClN4O2/c1-21-8-11(9-21)10-23-13-6-14(17)19-16(12(13)7-18)20-15-4-2-3-5-22-15/h6-7,11,15,18H,2-5,8-10H2,1H3,(H,19,20)/b18-7+
InChIKeyRRLKXWOYAOJSDP-CNHKJKLMSA-N
XLogP2.61
TPSA70.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-methanimidoyl-6-methyl-N-(oxan-2-yl)pyrimidin-4-amine
CID 143794618
4-[3-(azetidin-3-ylmethoxy)-4-methanimidoyl-5-(oxan-2-ylamino)phenyl]phenol
CID 137474338
2-chloro-5-methanimidoyl-6-morpholin-4-yl-N-(oxan-2-yl)pyrimidin-4-amine
CID 145480232
N-(3,5-difluoro-2-methanimidoylphenyl)oxan-2-amine
CID 139376476
4-N-[5-(4-ethoxy-3-methoxyphenyl)-1-(oxan-2-yl)-1,2,4-triazol-3-yl]-2-methanimidoyl-1-N-(oxan-2-yl)benzene-1,4-diamine
CID 167157758
N-[4-chloro-2-methanimidoyl-5-(4-methoxy-4-methylpent-1-ynyl)phenyl]oxan-2-amine
CID 155734773
4-[3-[azetidin-3-ylmethyl(methyl)amino]-4-methanimidoyl-5-(oxan-2-ylamino)phenyl]phenol
CID 137474463
2-fluoro-6-methanimidoyl-3,4-dimethyl-5-(oxan-2-ylamino)phenol
CID 139376447
N-(2-methanimidoyl-3-methyl-4-nitrophenyl)oxan-2-amine
CID 139365930
2-chloro-4-(oxan-2-ylamino)pyridine-3-carboximidoyl bromide
CID 177026996
2-bromo-5,6-difluoro-3-methanimidoyl-4-(oxan-2-ylamino)phenol
CID 171077735
methyl 5-[4-methanimidoyl-3-(oxan-2-ylamino)-5-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]-2-methoxypyridine-3-carboxylate
CID 142285084

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methanimidoyl-4-[(1-methylazetidin-3-yl)methoxy]-N-(oxan-2-yl)pyridin-2-amine?
The IUPAC name of 6-chloro-3-methanimidoyl-4-[(1-methylazetidin-3-yl)methoxy]-N-(oxan-2-yl)pyridin-2-amine (CID 142525089) is 6-chloro-3-methanimidoyl-4-[(1-methylazetidin-3-yl)methoxy]-N-(oxan-2-yl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-3-methanimidoyl-4-[(1-methylazetidin-3-yl)methoxy]-N-(oxan-2-yl)pyridin-2-amine?
The canonical SMILES for 6-chloro-3-methanimidoyl-4-[(1-methylazetidin-3-yl)methoxy]-N-(oxan-2-yl)pyridin-2-amine is [H]/N=C/c1c(OCC2CN(C)C2)cc(Cl)nc1NC1CCCCO1.
What is the InChIKey of 6-chloro-3-methanimidoyl-4-[(1-methylazetidin-3-yl)methoxy]-N-(oxan-2-yl)pyridin-2-amine?
The InChIKey is RRLKXWOYAOJSDP-CNHKJKLMSA-N. The full InChI is InChI=1S/C16H23ClN4O2/c1-21-8-11(9-21)10-23-13-6-14(17)19-16(12(13)7-18)20-15-4-2-3-5-22-15/h6-7,11,15,18H,2-5,8-10H2,1H3,(H,19,20)/b18-7+.
What are the key properties of 6-chloro-3-methanimidoyl-4-[(1-methylazetidin-3-yl)methoxy]-N-(oxan-2-yl)pyridin-2-amine?
6-chloro-3-methanimidoyl-4-[(1-methylazetidin-3-yl)methoxy]-N-(oxan-2-yl)pyridin-2-amine has a molecular weight of 338.84 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methanimidoyl-4-[(1-methylazetidin-3-yl)methoxy]-N-(oxan-2-yl)pyridin-2-amine is sourced from PubChem (CID 142525089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).