6-bromo-2-imino-N-(pyridin-2-ylmethyl)chromene-3-carboxamide

C16H12BrN3O2 — CID 19574154

IUPAC6-bromo-2-imino-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(Br)cc2cc1C(=O)NCc1ccccn1
InChIInChI=1S/C16H12BrN3O2/c17-11-4-5-14-10(7-11)8-13(15(18)22-14)16(21)20-9-12-3-1-2-6-19-12/h1-8,18H,9H2,(H,20,21)/b18-15-
InChIKeySXEHFAHZUOLGMO-SDXDJHTJSA-N
MW358.19 g/mol
LogP3.00
Rot. Bonds3

About 6-bromo-2-imino-N-(pyridin-2-ylmethyl)chromene-3-carboxamide

6-bromo-2-imino-N-(pyridin-2-ylmethyl)chromene-3-carboxamide (PubChem CID 19574154) has the molecular formula C16H12BrN3O2 and a molecular weight of 358.19 g/mol. Its IUPAC name is 6-bromo-2-imino-N-(pyridin-2-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-imino-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
PubChem CID19574154
Molecular FormulaC16H12BrN3O2
Molecular Weight358.19 g/mol
Exact Mass357.01
IUPAC Name6-bromo-2-imino-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(Br)cc2cc1C(=O)NCc1ccccn1
InChIInChI=1S/C16H12BrN3O2/c17-11-4-5-14-10(7-11)8-13(15(18)22-14)16(21)20-9-12-3-1-2-6-19-12/h1-8,18H,9H2,(H,20,21)/b18-15-
InChIKeySXEHFAHZUOLGMO-SDXDJHTJSA-N
XLogP3.00
TPSA78.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.19
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-benzyl-2-[(6-bromo-2-iminochromene-3-carbonyl)amino]thiophene-3-carboxylate
CID 19573832
6-bromo-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 17373619
6-bromo-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-iminochromene-3-carboxamide
CID 19289107
2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 113338677
3-bromo-5-methyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 58458867
2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 842504
2-bromo-N-(pyridin-2-ylmethyl)-5-sulfamoylbenzamide
CID 9414471
N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide
CID 39047420
6-bromo-N-(5-chloro-2-methoxyphenyl)-2-iminochromene-3-carboxamide
CID 17374434
5-(3-bromophenyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 29133788
2-oxo-N-(pyridin-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 16589995
8-hydroxy-N-[4-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide
CID 46237292

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-imino-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?
The IUPAC name of 6-bromo-2-imino-N-(pyridin-2-ylmethyl)chromene-3-carboxamide (CID 19574154) is 6-bromo-2-imino-N-(pyridin-2-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for 6-bromo-2-imino-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for 6-bromo-2-imino-N-(pyridin-2-ylmethyl)chromene-3-carboxamide is [H]/N=c1\oc2ccc(Br)cc2cc1C(=O)NCc1ccccn1.
What is the InChIKey of 6-bromo-2-imino-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?
The InChIKey is SXEHFAHZUOLGMO-SDXDJHTJSA-N. The full InChI is InChI=1S/C16H12BrN3O2/c17-11-4-5-14-10(7-11)8-13(15(18)22-14)16(21)20-9-12-3-1-2-6-19-12/h1-8,18H,9H2,(H,20,21)/b18-15-.
What are the key properties of 6-bromo-2-imino-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?
6-bromo-2-imino-N-(pyridin-2-ylmethyl)chromene-3-carboxamide has a molecular weight of 358.19 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-imino-N-(pyridin-2-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 19574154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).