3-(4-chloro-2-methoxybenzenecarboximidoyl)-4-(5-methylthiophen-2-yl)pyridin-2-amine

C18H16ClN3OS — CID 144647170

IUPAC3-(4-chloro-2-methoxybenzenecarboximidoyl)-4-(5-methylthiophen-2-yl)pyridin-2-amine
SMILES[H]/N=C(\c1ccc(Cl)cc1OC)c1c(-c2ccc(C)s2)ccnc1N
InChIInChI=1S/C18H16ClN3OS/c1-10-3-6-15(24-10)13-7-8-22-18(21)16(13)17(20)12-5-4-11(19)9-14(12)23-2/h3-9,20H,1-2H3,(H2,21,22)/b20-17+
InChIKeyZNTDJEWOEXNXCQ-LVZFUZTISA-N
MW357.87 g/mol
LogP4.78
Rot. Bonds4

About 3-(4-chloro-2-methoxybenzenecarboximidoyl)-4-(5-methylthiophen-2-yl)pyridin-2-amine

3-(4-chloro-2-methoxybenzenecarboximidoyl)-4-(5-methylthiophen-2-yl)pyridin-2-amine (PubChem CID 144647170) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is 3-(4-chloro-2-methoxybenzenecarboximidoyl)-4-(5-methylthiophen-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(4-chloro-2-methoxybenzenecarboximidoyl)-4-(5-methylthiophen-2-yl)pyridin-2-amine
PubChem CID144647170
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name3-(4-chloro-2-methoxybenzenecarboximidoyl)-4-(5-methylthiophen-2-yl)pyridin-2-amine
SMILES[H]/N=C(\c1ccc(Cl)cc1OC)c1c(-c2ccc(C)s2)ccnc1N
InChIInChI=1S/C18H16ClN3OS/c1-10-3-6-15(24-10)13-7-8-22-18(21)16(13)17(20)12-5-4-11(19)9-14(12)23-2/h3-9,20H,1-2H3,(H2,21,22)/b20-17+
InChIKeyZNTDJEWOEXNXCQ-LVZFUZTISA-N
XLogP4.78
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methoxybenzenecarboximidoyl)-4-(5-methylthiophen-2-yl)pyridin-2-amine?
The IUPAC name of 3-(4-chloro-2-methoxybenzenecarboximidoyl)-4-(5-methylthiophen-2-yl)pyridin-2-amine (CID 144647170) is 3-(4-chloro-2-methoxybenzenecarboximidoyl)-4-(5-methylthiophen-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-(4-chloro-2-methoxybenzenecarboximidoyl)-4-(5-methylthiophen-2-yl)pyridin-2-amine?
The canonical SMILES for 3-(4-chloro-2-methoxybenzenecarboximidoyl)-4-(5-methylthiophen-2-yl)pyridin-2-amine is [H]/N=C(\c1ccc(Cl)cc1OC)c1c(-c2ccc(C)s2)ccnc1N.
What is the InChIKey of 3-(4-chloro-2-methoxybenzenecarboximidoyl)-4-(5-methylthiophen-2-yl)pyridin-2-amine?
The InChIKey is ZNTDJEWOEXNXCQ-LVZFUZTISA-N. The full InChI is InChI=1S/C18H16ClN3OS/c1-10-3-6-15(24-10)13-7-8-22-18(21)16(13)17(20)12-5-4-11(19)9-14(12)23-2/h3-9,20H,1-2H3,(H2,21,22)/b20-17+.
What are the key properties of 3-(4-chloro-2-methoxybenzenecarboximidoyl)-4-(5-methylthiophen-2-yl)pyridin-2-amine?
3-(4-chloro-2-methoxybenzenecarboximidoyl)-4-(5-methylthiophen-2-yl)pyridin-2-amine has a molecular weight of 357.87 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methoxybenzenecarboximidoyl)-4-(5-methylthiophen-2-yl)pyridin-2-amine is sourced from PubChem (CID 144647170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).