2-N-tert-butyl-3-(4-chlorobenzenecarboximidoyl)pyridine-2,4-diamine

C16H19ClN4 — CID 162218929

IUPAC2-N-tert-butyl-3-(4-chlorobenzenecarboximidoyl)pyridine-2,4-diamine
SMILES[H]/N=C(\c1ccc(Cl)cc1)c1c(N)ccnc1NC(C)(C)C
InChIInChI=1S/C16H19ClN4/c1-16(2,3)21-15-13(12(18)8-9-20-15)14(19)10-4-6-11(17)7-5-10/h4-9,19H,1-3H3,(H3,18,20,21)/b19-14+
InChIKeyLLNVSJROXMGYBO-XMHGGMMESA-N
MW302.81 g/mol
LogP3.94
Rot. Bonds3

About 2-N-tert-butyl-3-(4-chlorobenzenecarboximidoyl)pyridine-2,4-diamine

2-N-tert-butyl-3-(4-chlorobenzenecarboximidoyl)pyridine-2,4-diamine (PubChem CID 162218929) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-N-tert-butyl-3-(4-chlorobenzenecarboximidoyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-3-(4-chlorobenzenecarboximidoyl)pyridine-2,4-diamine
PubChem CID162218929
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name2-N-tert-butyl-3-(4-chlorobenzenecarboximidoyl)pyridine-2,4-diamine
SMILES[H]/N=C(\c1ccc(Cl)cc1)c1c(N)ccnc1NC(C)(C)C
InChIInChI=1S/C16H19ClN4/c1-16(2,3)21-15-13(12(18)8-9-20-15)14(19)10-4-6-11(17)7-5-10/h4-9,19H,1-3H3,(H3,18,20,21)/b19-14+
InChIKeyLLNVSJROXMGYBO-XMHGGMMESA-N
XLogP3.94
TPSA74.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-N-tert-butyl-3-(4-chlorobenzenecarboximidoyl)pyridine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-3-(4-chlorobenzenecarboximidoyl)pyridine-2,4-diamine (CID 162218929) is 2-N-tert-butyl-3-(4-chlorobenzenecarboximidoyl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-3-(4-chlorobenzenecarboximidoyl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-3-(4-chlorobenzenecarboximidoyl)pyridine-2,4-diamine is [H]/N=C(\c1ccc(Cl)cc1)c1c(N)ccnc1NC(C)(C)C.
What is the InChIKey of 2-N-tert-butyl-3-(4-chlorobenzenecarboximidoyl)pyridine-2,4-diamine?
The InChIKey is LLNVSJROXMGYBO-XMHGGMMESA-N. The full InChI is InChI=1S/C16H19ClN4/c1-16(2,3)21-15-13(12(18)8-9-20-15)14(19)10-4-6-11(17)7-5-10/h4-9,19H,1-3H3,(H3,18,20,21)/b19-14+.
What are the key properties of 2-N-tert-butyl-3-(4-chlorobenzenecarboximidoyl)pyridine-2,4-diamine?
2-N-tert-butyl-3-(4-chlorobenzenecarboximidoyl)pyridine-2,4-diamine has a molecular weight of 302.81 g/mol, XLogP of 3.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-3-(4-chlorobenzenecarboximidoyl)pyridine-2,4-diamine is sourced from PubChem (CID 162218929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).