N-(4-bromophenyl)-4-(cycloheptylamino)pyridine-2-carboxamide

C19H22BrN3O — CID 109217159

IUPACN-(4-bromophenyl)-4-(cycloheptylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(NC2CCCCCC2)ccn1
InChIInChI=1S/C19H22BrN3O/c20-14-7-9-16(10-8-14)23-19(24)18-13-17(11-12-21-18)22-15-5-3-1-2-4-6-15/h7-13,15H,1-6H2,(H,21,22)(H,23,24)
InChIKeyVEUZXYGSOPNKCB-UHFFFAOYSA-N
MW388.31 g/mol
LogP5.23
Rot. Bonds4

About N-(4-bromophenyl)-4-(cycloheptylamino)pyridine-2-carboxamide

N-(4-bromophenyl)-4-(cycloheptylamino)pyridine-2-carboxamide (PubChem CID 109217159) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(cycloheptylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(cycloheptylamino)pyridine-2-carboxamide
PubChem CID109217159
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC NameN-(4-bromophenyl)-4-(cycloheptylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(NC2CCCCCC2)ccn1
InChIInChI=1S/C19H22BrN3O/c20-14-7-9-16(10-8-14)23-19(24)18-13-17(11-12-21-18)22-15-5-3-1-2-4-6-15/h7-13,15H,1-6H2,(H,21,22)(H,23,24)
InChIKeyVEUZXYGSOPNKCB-UHFFFAOYSA-N
XLogP5.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.31
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(cycloheptylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-4-(cycloheptylamino)pyridine-2-carboxamide (CID 109217159) is N-(4-bromophenyl)-4-(cycloheptylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-4-(cycloheptylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-4-(cycloheptylamino)pyridine-2-carboxamide is O=C(Nc1ccc(Br)cc1)c1cc(NC2CCCCCC2)ccn1.
What is the InChIKey of N-(4-bromophenyl)-4-(cycloheptylamino)pyridine-2-carboxamide?
The InChIKey is VEUZXYGSOPNKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O/c20-14-7-9-16(10-8-14)23-19(24)18-13-17(11-12-21-18)22-15-5-3-1-2-4-6-15/h7-13,15H,1-6H2,(H,21,22)(H,23,24).
What are the key properties of N-(4-bromophenyl)-4-(cycloheptylamino)pyridine-2-carboxamide?
N-(4-bromophenyl)-4-(cycloheptylamino)pyridine-2-carboxamide has a molecular weight of 388.31 g/mol, XLogP of 5.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(cycloheptylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109217159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).