N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2-(dimethylamino)pyridine-4-carboxamide

C17H18BrN3O2 — CID 60568914

IUPACN-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2-(dimethylamino)pyridine-4-carboxamide
SMILESCN(C)c1cc(C(=O)NC2CCOc3ccc(Br)cc32)ccn1
InChIInChI=1S/C17H18BrN3O2/c1-21(2)16-9-11(5-7-19-16)17(22)20-14-6-8-23-15-4-3-12(18)10-13(14)15/h3-5,7,9-10,14H,6,8H2,1-2H3,(H,20,22)
InChIKeyDQGHWCRNSGETAJ-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.16
Rot. Bonds3

About N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2-(dimethylamino)pyridine-4-carboxamide

N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2-(dimethylamino)pyridine-4-carboxamide (PubChem CID 60568914) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2-(dimethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2-(dimethylamino)pyridine-4-carboxamide
PubChem CID60568914
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC NameN-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2-(dimethylamino)pyridine-4-carboxamide
SMILESCN(C)c1cc(C(=O)NC2CCOc3ccc(Br)cc32)ccn1
InChIInChI=1S/C17H18BrN3O2/c1-21(2)16-9-11(5-7-19-16)17(22)20-14-6-8-23-15-4-3-12(18)10-13(14)15/h3-5,7,9-10,14H,6,8H2,1-2H3,(H,20,22)
InChIKeyDQGHWCRNSGETAJ-UHFFFAOYSA-N
XLogP3.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid
CID 18448605
N-(3,4-dihydro-2H-chromen-4-yl)-2-(methylamino)pyridine-4-carboxamide
CID 62365931
N-[(4S)-6-bromo-3,4-dihydro-2H-chromen-4-yl]-2-chloroacetamide
CID 167888581
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-5-methoxypentanamide
CID 86872157
N-[(4S)-6-bromo-3,4-dihydro-2H-chromen-4-yl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 52533059
4-(dimethylamino)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 110750983
(2S)-N-[(4R)-6-bromo-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide
CID 94488724
2-(dimethylamino)-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
CID 62361251
3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764672
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide
CID 54935296
4-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzamide
CID 115769510

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2-(dimethylamino)pyridine-4-carboxamide?
The IUPAC name of N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2-(dimethylamino)pyridine-4-carboxamide (CID 60568914) is N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2-(dimethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2-(dimethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2-(dimethylamino)pyridine-4-carboxamide is CN(C)c1cc(C(=O)NC2CCOc3ccc(Br)cc32)ccn1.
What is the InChIKey of N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2-(dimethylamino)pyridine-4-carboxamide?
The InChIKey is DQGHWCRNSGETAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c1-21(2)16-9-11(5-7-19-16)17(22)20-14-6-8-23-15-4-3-12(18)10-13(14)15/h3-5,7,9-10,14H,6,8H2,1-2H3,(H,20,22).
What are the key properties of N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2-(dimethylamino)pyridine-4-carboxamide?
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2-(dimethylamino)pyridine-4-carboxamide has a molecular weight of 376.25 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2-(dimethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 60568914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).