2-(3-chlorophenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide

C22H16ClN3O2 — CID 51367843

IUPAC2-(3-chlorophenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(Cl)c2)n1
InChIInChI=1S/C22H16ClN3O2/c1-14-6-4-11-20(24-14)26-21(27)18-12-15-7-2-3-10-19(15)28-22(18)25-17-9-5-8-16(23)13-17/h2-13H,1H3,(H,24,26,27)/b25-22-
InChIKeyRSTQDEMAYMECKE-LVWGJNHUSA-N
MW389.84 g/mol
LogP5.27
Rot. Bonds3

About 2-(3-chlorophenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide

2-(3-chlorophenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide (PubChem CID 51367843) has the molecular formula C22H16ClN3O2 and a molecular weight of 389.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
PubChem CID51367843
Molecular FormulaC22H16ClN3O2
Molecular Weight389.84 g/mol
Exact Mass389.09
IUPAC Name2-(3-chlorophenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(Cl)c2)n1
InChIInChI=1S/C22H16ClN3O2/c1-14-6-4-11-20(24-14)26-21(27)18-12-15-7-2-3-10-19(15)28-22(18)25-17-9-5-8-16(23)13-17/h2-13H,1H3,(H,24,26,27)/b25-22-
InChIKeyRSTQDEMAYMECKE-LVWGJNHUSA-N
XLogP5.27
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.84
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide (CID 51367843) is 2-(3-chlorophenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide is Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide?
The InChIKey is RSTQDEMAYMECKE-LVWGJNHUSA-N. The full InChI is InChI=1S/C22H16ClN3O2/c1-14-6-4-11-20(24-14)26-21(27)18-12-15-7-2-3-10-19(15)28-22(18)25-17-9-5-8-16(23)13-17/h2-13H,1H3,(H,24,26,27)/b25-22-.
What are the key properties of 2-(3-chlorophenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide?
2-(3-chlorophenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide has a molecular weight of 389.84 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide is sourced from PubChem (CID 51367843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).